4-chloro-5-methyl-2-oxo-1-phenyl-7-(trifluoromethyl)-1,8-naphthyridine-3-carbonitrile

C17H9ClF3N3O — CID 162752651

IUPAC4-chloro-5-methyl-2-oxo-1-phenyl-7-(trifluoromethyl)-1,8-naphthyridine-3-carbonitrile
SMILESCc1cc(C(F)(F)F)nc2c1c(Cl)c(C#N)c(=O)n2-c1ccccc1
InChIInChI=1S/C17H9ClF3N3O/c1-9-7-12(17(19,20)21)23-15-13(9)14(18)11(8-22)16(25)24(15)10-5-3-2-4-6-10/h2-7H,1H3
InChIKeyPLSGMPUJVHXFSC-UHFFFAOYSA-N
MW363.73 g/mol
LogP4.24
Rot. Bonds1

About 4-chloro-5-methyl-2-oxo-1-phenyl-7-(trifluoromethyl)-1,8-naphthyridine-3-carbonitrile

4-chloro-5-methyl-2-oxo-1-phenyl-7-(trifluoromethyl)-1,8-naphthyridine-3-carbonitrile (PubChem CID 162752651) has the molecular formula C17H9ClF3N3O and a molecular weight of 363.73 g/mol. Its IUPAC name is 4-chloro-5-methyl-2-oxo-1-phenyl-7-(trifluoromethyl)-1,8-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name4-chloro-5-methyl-2-oxo-1-phenyl-7-(trifluoromethyl)-1,8-naphthyridine-3-carbonitrile
PubChem CID162752651
Molecular FormulaC17H9ClF3N3O
Molecular Weight363.73 g/mol
Exact Mass363.04
IUPAC Name4-chloro-5-methyl-2-oxo-1-phenyl-7-(trifluoromethyl)-1,8-naphthyridine-3-carbonitrile
SMILESCc1cc(C(F)(F)F)nc2c1c(Cl)c(C#N)c(=O)n2-c1ccccc1
InChIInChI=1S/C17H9ClF3N3O/c1-9-7-12(17(19,20)21)23-15-13(9)14(18)11(8-22)16(25)24(15)10-5-3-2-4-6-10/h2-7H,1H3
InChIKeyPLSGMPUJVHXFSC-UHFFFAOYSA-N
XLogP4.24
TPSA58.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.73
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-chloro-5-methyl-2-oxo-1-phenyl-7-(trifluoromethyl)-1,8-naphthyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-Cyano-4,6-dimethyl-pyridin-2-yl)-N-p-tolyl-acetamide
CID 781001
(E)-2-cyano-3-(4-fluorophenyl)-N-(6-methylpyridin-2-yl)acrylamide
CID 5548030
N-(4-chlorophenyl)-N-(3-cyano-4,6-dimethylpyridin-2-yl)acetamide
CID 740893
N-(3-cyano-4,6-dimethylpyridin-2-yl)-N-phenylacetamide
CID 740890
1-(3-chlorobenzyl)-5,7-dimethyl[1,8]naphthyridin-2(1H)-one
CID 901093
(E)-3-(2-chlorophenyl)-2-cyano-N-(6-methylpyridin-2-yl)prop-2-enamide
CID 1587823
(2E)-2-cyano-3-(4-methylphenyl)-N-(6-methylpyridin-2-yl)prop-2-enamide
CID 712339
N-(3-chlorophenyl)-N-(3-cyano-4,6-dimethylpyridin-2-yl)acetamide
CID 740896
(E)-3-(4-chlorophenyl)-2-cyano-N-(6-methylpyridin-2-yl)acrylamide
CID 1587827
4-(4-Fluorophenyl)-1,5,7-trimethyl-2-oxo-1,8-naphthyridine-3-carbonitrile
CID 4289166
3-(4-amino-2-oxo-7-(trifluoromethyl)-pyrido[2,3-d]pyrimidin-1(2H)-yl)-benzonitrile
CID 153608263
4-Chloro-1-ethyl-1,2-dihydro-7-methyl-2-oxo-1,8-naphthyridine-3-carbonitrile
CID 12818630

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methyl-2-oxo-1-phenyl-7-(trifluoromethyl)-1,8-naphthyridine-3-carbonitrile?
The IUPAC name of 4-chloro-5-methyl-2-oxo-1-phenyl-7-(trifluoromethyl)-1,8-naphthyridine-3-carbonitrile (CID 162752651) is 4-chloro-5-methyl-2-oxo-1-phenyl-7-(trifluoromethyl)-1,8-naphthyridine-3-carbonitrile.
What is the SMILES notation for 4-chloro-5-methyl-2-oxo-1-phenyl-7-(trifluoromethyl)-1,8-naphthyridine-3-carbonitrile?
The canonical SMILES for 4-chloro-5-methyl-2-oxo-1-phenyl-7-(trifluoromethyl)-1,8-naphthyridine-3-carbonitrile is Cc1cc(C(F)(F)F)nc2c1c(Cl)c(C#N)c(=O)n2-c1ccccc1.
What is the InChIKey of 4-chloro-5-methyl-2-oxo-1-phenyl-7-(trifluoromethyl)-1,8-naphthyridine-3-carbonitrile?
The InChIKey is PLSGMPUJVHXFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9ClF3N3O/c1-9-7-12(17(19,20)21)23-15-13(9)14(18)11(8-22)16(25)24(15)10-5-3-2-4-6-10/h2-7H,1H3.
What are the key properties of 4-chloro-5-methyl-2-oxo-1-phenyl-7-(trifluoromethyl)-1,8-naphthyridine-3-carbonitrile?
4-chloro-5-methyl-2-oxo-1-phenyl-7-(trifluoromethyl)-1,8-naphthyridine-3-carbonitrile has a molecular weight of 363.73 g/mol, XLogP of 4.24, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-methyl-2-oxo-1-phenyl-7-(trifluoromethyl)-1,8-naphthyridine-3-carbonitrile is sourced from PubChem (CID 162752651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).