4-[4-amino-1-(4-chlorophenyl)-7-methyl-2-oxo-1,8-naphthyridin-3-yl]benzonitrile

C22H15ClN4O — CID 175617063

IUPAC4-[4-amino-1-(4-chlorophenyl)-7-methyl-2-oxo-1,8-naphthyridin-3-yl]benzonitrile
SMILESCc1ccc2c(N)c(-c3ccc(C#N)cc3)c(=O)n(-c3ccc(Cl)cc3)c2n1
InChIInChI=1S/C22H15ClN4O/c1-13-2-11-18-20(25)19(15-5-3-14(12-24)4-6-15)22(28)27(21(18)26-13)17-9-7-16(23)8-10-17/h2-11H,25H2,1H3
InChIKeyJTIDQANLMBYQEM-UHFFFAOYSA-N
MW386.84 g/mol
LogP4.47
Rot. Bonds2

About 4-[4-amino-1-(4-chlorophenyl)-7-methyl-2-oxo-1,8-naphthyridin-3-yl]benzonitrile

4-[4-amino-1-(4-chlorophenyl)-7-methyl-2-oxo-1,8-naphthyridin-3-yl]benzonitrile (PubChem CID 175617063) has the molecular formula C22H15ClN4O and a molecular weight of 386.84 g/mol. Its IUPAC name is 4-[4-amino-1-(4-chlorophenyl)-7-methyl-2-oxo-1,8-naphthyridin-3-yl]benzonitrile.

Molecular Properties

Compound Name4-[4-amino-1-(4-chlorophenyl)-7-methyl-2-oxo-1,8-naphthyridin-3-yl]benzonitrile
PubChem CID175617063
Molecular FormulaC22H15ClN4O
Molecular Weight386.84 g/mol
Exact Mass386.09
IUPAC Name4-[4-amino-1-(4-chlorophenyl)-7-methyl-2-oxo-1,8-naphthyridin-3-yl]benzonitrile
SMILESCc1ccc2c(N)c(-c3ccc(C#N)cc3)c(=O)n(-c3ccc(Cl)cc3)c2n1
InChIInChI=1S/C22H15ClN4O/c1-13-2-11-18-20(25)19(15-5-3-14(12-24)4-6-15)22(28)27(21(18)26-13)17-9-7-16(23)8-10-17/h2-11H,25H2,1H3
InChIKeyJTIDQANLMBYQEM-UHFFFAOYSA-N
XLogP4.47
TPSA84.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.84
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-1-(4-chlorophenyl)-7-methyl-3-(1-methylpyrrol-2-yl)-1,8-naphthyridin-2-one
CID 175617040
4-amino-1-(4-chlorophenyl)-3-[1-[2-(dimethylamino)ethyl]indazol-5-yl]-7-methyl-1,8-naphthyridin-2-one
CID 175617096
4-amino-1-(4-chloro-2-fluorophenyl)-7-methyl-3-(1-methyl-6-oxo-3-pyridinyl)-1,8-naphthyridin-2-one
CID 175617101
4-amino-1-(4-chlorophenyl)-3-pyrazolo[1,5-a]pyridin-6-yl-7-(trifluoromethyl)-1,8-naphthyridin-2-one
CID 175617260
1-(4-aminophenyl)-4-(dimethylamino)-7-methyl-2-oxo-1,8-naphthyridine-3-carbonitrile
CID 143649694
2-amino-4-(4-chlorophenyl)-1-(4-methoxyphenyl)-6-oxopyridine-3,5-dicarbonitrile
CID 11689362
4-[4-[10-(4-chlorophenyl)anthracen-9-yl]phenyl]benzonitrile
CID 169275226
4-[4-(4-chlorophenyl)-5-(4-cyanophenyl)-1-(4-methylphenyl)pyrrolo[3,2-b]pyrrol-2-yl]benzonitrile
CID 134566035
4-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)benzonitrile
CID 81138271
2,7-dimethyl-1-(4-methylphenyl)pyrido[2,3-d]pyrimidin-4-one
CID 13397837
3-(aminomethyl)-4-(4-chlorophenyl)-2-(2-methylpropyl)-1-oxoisoquinoline-6-carbonitrile;hydrochloride
CID 22175246
4-(7-hydroxy-8-methyl-4-oxo-2-propan-2-ylquinazolin-3-yl)benzonitrile
CID 59777571

Frequently Asked Questions

What is the IUPAC name of 4-[4-amino-1-(4-chlorophenyl)-7-methyl-2-oxo-1,8-naphthyridin-3-yl]benzonitrile?
The IUPAC name of 4-[4-amino-1-(4-chlorophenyl)-7-methyl-2-oxo-1,8-naphthyridin-3-yl]benzonitrile (CID 175617063) is 4-[4-amino-1-(4-chlorophenyl)-7-methyl-2-oxo-1,8-naphthyridin-3-yl]benzonitrile.
What is the SMILES notation for 4-[4-amino-1-(4-chlorophenyl)-7-methyl-2-oxo-1,8-naphthyridin-3-yl]benzonitrile?
The canonical SMILES for 4-[4-amino-1-(4-chlorophenyl)-7-methyl-2-oxo-1,8-naphthyridin-3-yl]benzonitrile is Cc1ccc2c(N)c(-c3ccc(C#N)cc3)c(=O)n(-c3ccc(Cl)cc3)c2n1.
What is the InChIKey of 4-[4-amino-1-(4-chlorophenyl)-7-methyl-2-oxo-1,8-naphthyridin-3-yl]benzonitrile?
The InChIKey is JTIDQANLMBYQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClN4O/c1-13-2-11-18-20(25)19(15-5-3-14(12-24)4-6-15)22(28)27(21(18)26-13)17-9-7-16(23)8-10-17/h2-11H,25H2,1H3.
What are the key properties of 4-[4-amino-1-(4-chlorophenyl)-7-methyl-2-oxo-1,8-naphthyridin-3-yl]benzonitrile?
4-[4-amino-1-(4-chlorophenyl)-7-methyl-2-oxo-1,8-naphthyridin-3-yl]benzonitrile has a molecular weight of 386.84 g/mol, XLogP of 4.47, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-amino-1-(4-chlorophenyl)-7-methyl-2-oxo-1,8-naphthyridin-3-yl]benzonitrile is sourced from PubChem (CID 175617063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).