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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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).