A1BV8

(3M)-3-[(4P)-2-chloro-4-(6-methylpyridin-2-yl)phenyl]-1-{2-[2-(dimethylamino)ethoxy]ethyl}-1,6-naphthyridin-2(1H)-one

Created:2025-02-05
Last modified:  2025-06-25

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Chemical Details

Formal Charge0
Atom Count60
Chiral Atom Count0
Bond Count63
Aromatic Bond Count18
2D diagram of A1BV8
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Chemical Component Summary

Name(3M)-3-[(4P)-2-chloro-4-(6-methylpyridin-2-yl)phenyl]-1-{2-[2-(dimethylamino)ethoxy]ethyl}-1,6-naphthyridin-2(1H)-one
Systematic Name (OpenEye OEToolkits)3-[2-chloranyl-4-(6-methylpyridin-2-yl)phenyl]-1-[2-[2-(dimethylamino)ethoxy]ethyl]-1,6-naphthyridin-2-one
FormulaC26 H27 Cl N4 O2
Molecular Weight462.971
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52Cc1cccc(n1)c1ccc(C2=Cc3cnccc3N(CCOCCN(C)C)C2=O)c(Cl)c1
SMILESCACTVS3.385CN(C)CCOCCN1C(=O)C(=Cc2cnccc12)c3ccc(cc3Cl)c4cccc(C)n4
SMILESOpenEye OEToolkits3.1.0.0Cc1cccc(n1)c2ccc(c(c2)Cl)C3=Cc4cnccc4N(C3=O)CCOCCN(C)C
Canonical SMILESCACTVS3.385 CN(C)CCOCCN1C(=O)C(=Cc2cnccc12)c3ccc(cc3Cl)c4cccc(C)n4
Canonical SMILESOpenEye OEToolkits3.1.0.0 Cc1cccc(n1)c2ccc(c(c2)Cl)C3=Cc4cnccc4N(C3=O)CCOCCN(C)C
InChIInChI1.06 InChI=1S/C26H27ClN4O2/c1-18-5-4-6-24(29-18)19-7-8-21(23(27)16-19)22-15-20-17-28-10-9-25(20)31(26(22)32)12-14-33-13-11-30(2)3/h4-10,15-17H,11-14H2,1-3H3
InChIKeyInChI1.06 NPOXYSJSLYNRSE-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 175679305