3-(2-chlorophenyl)-1-methyl-7-(3-piperidin-1-ylanilino)-1,6-naphthyridin-2-one

C26H25ClN4O — CID 165057275

IUPAC3-(2-chlorophenyl)-1-methyl-7-(3-piperidin-1-ylanilino)-1,6-naphthyridin-2-one
SMILESCn1c(=O)c(-c2ccccc2Cl)cc2cnc(Nc3cccc(N4CCCCC4)c3)cc21
InChIInChI=1S/C26H25ClN4O/c1-30-24-16-25(29-19-8-7-9-20(15-19)31-12-5-2-6-13-31)28-17-18(24)14-22(26(30)32)21-10-3-4-11-23(21)27/h3-4,7-11,14-17H,2,5-6,12-13H2,1H3,(H,28,29)
InChIKeyQQAXNBRWHLKXKS-UHFFFAOYSA-N
MW444.97 g/mol
LogP5.99
Rot. Bonds4

About 3-(2-chlorophenyl)-1-methyl-7-(3-piperidin-1-ylanilino)-1,6-naphthyridin-2-one

3-(2-chlorophenyl)-1-methyl-7-(3-piperidin-1-ylanilino)-1,6-naphthyridin-2-one (PubChem CID 165057275) has the molecular formula C26H25ClN4O and a molecular weight of 444.97 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-1-methyl-7-(3-piperidin-1-ylanilino)-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name3-(2-chlorophenyl)-1-methyl-7-(3-piperidin-1-ylanilino)-1,6-naphthyridin-2-one
PubChem CID165057275
Molecular FormulaC26H25ClN4O
Molecular Weight444.97 g/mol
Exact Mass444.17
IUPAC Name3-(2-chlorophenyl)-1-methyl-7-(3-piperidin-1-ylanilino)-1,6-naphthyridin-2-one
SMILESCn1c(=O)c(-c2ccccc2Cl)cc2cnc(Nc3cccc(N4CCCCC4)c3)cc21
InChIInChI=1S/C26H25ClN4O/c1-30-24-16-25(29-19-8-7-9-20(15-19)31-12-5-2-6-13-31)28-17-18(24)14-22(26(30)32)21-10-3-4-11-23(21)27/h3-4,7-11,14-17H,2,5-6,12-13H2,1H3,(H,28,29)
InChIKeyQQAXNBRWHLKXKS-UHFFFAOYSA-N
XLogP5.99
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.97
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,6-dichlorophenyl)-7-[4-(1,1-dioxo-1,4-thiazinan-4-yl)anilino]-1-methyl-1,6-naphthyridin-2-one
CID 167119046
1-methyl-7-(4-piperidin-1-ylanilino)-1,6-naphthyridin-2-one
CID 22124727
3-(2,6-dichlorophenyl)-7-(4-ethoxyanilino)-1-methyl-1,6-naphthyridin-2-one
CID 22124831
2-anilino-6-(2-chlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 141354763
[4-[[3-(2,6-dichlorophenyl)-1-methyl-2-oxo-1,6-naphthyridin-7-yl]amino]phenyl]methylcarbamic acid
CID 23160257
3-(2,6-dichlorophenyl)-1-methyl-7-[3-(4-methylpiperazin-1-yl)propylamino]-1,6-naphthyridin-2-one
CID 5328707
3-(2-chlorophenyl)-1-ethyl-7-(methylamino)-1,6-naphthyridin-2-one
CID 141205535
3-(2,6-dichlorophenyl)-7-[4-[3-(diethylamino)propoxy]anilino]-1-methyl-1,6-naphthyridin-2-one
CID 5328717
3-(2,6-dichlorophenyl)-1-methyl-7-(3-morpholin-4-ylbutylamino)-1,6-naphthyridin-2-one
CID 22124768
6-(2-chlorophenyl)-8-methyl-2-(pyridin-2-ylamino)pyrido[2,3-d]pyrimidin-7-one
CID 135381982
2-amino-6-(2-chlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 141354765
3-(2,6-dichlorophenyl)-7-[4-(diethylamino)butylamino]-1-methyl-1,6-naphthyridin-2-one
CID 5328705

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-1-methyl-7-(3-piperidin-1-ylanilino)-1,6-naphthyridin-2-one?
The IUPAC name of 3-(2-chlorophenyl)-1-methyl-7-(3-piperidin-1-ylanilino)-1,6-naphthyridin-2-one (CID 165057275) is 3-(2-chlorophenyl)-1-methyl-7-(3-piperidin-1-ylanilino)-1,6-naphthyridin-2-one.
What is the SMILES notation for 3-(2-chlorophenyl)-1-methyl-7-(3-piperidin-1-ylanilino)-1,6-naphthyridin-2-one?
The canonical SMILES for 3-(2-chlorophenyl)-1-methyl-7-(3-piperidin-1-ylanilino)-1,6-naphthyridin-2-one is Cn1c(=O)c(-c2ccccc2Cl)cc2cnc(Nc3cccc(N4CCCCC4)c3)cc21.
What is the InChIKey of 3-(2-chlorophenyl)-1-methyl-7-(3-piperidin-1-ylanilino)-1,6-naphthyridin-2-one?
The InChIKey is QQAXNBRWHLKXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN4O/c1-30-24-16-25(29-19-8-7-9-20(15-19)31-12-5-2-6-13-31)28-17-18(24)14-22(26(30)32)21-10-3-4-11-23(21)27/h3-4,7-11,14-17H,2,5-6,12-13H2,1H3,(H,28,29).
What are the key properties of 3-(2-chlorophenyl)-1-methyl-7-(3-piperidin-1-ylanilino)-1,6-naphthyridin-2-one?
3-(2-chlorophenyl)-1-methyl-7-(3-piperidin-1-ylanilino)-1,6-naphthyridin-2-one has a molecular weight of 444.97 g/mol, XLogP of 5.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-1-methyl-7-(3-piperidin-1-ylanilino)-1,6-naphthyridin-2-one is sourced from PubChem (CID 165057275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).