4-chloro-1-(4-chlorophenyl)-2-oxo-7-(trifluoromethyl)-1,8-naphthyridine-3-carbonitrile

C16H6Cl2F3N3O — CID 162752649

IUPAC4-chloro-1-(4-chlorophenyl)-2-oxo-7-(trifluoromethyl)-1,8-naphthyridine-3-carbonitrile
SMILESN#Cc1c(Cl)c2ccc(C(F)(F)F)nc2n(-c2ccc(Cl)cc2)c1=O
InChIInChI=1S/C16H6Cl2F3N3O/c17-8-1-3-9(4-2-8)24-14-10(13(18)11(7-22)15(24)25)5-6-12(23-14)16(19,20)21/h1-6H
InChIKeyHINFZLNTHJJMIQ-UHFFFAOYSA-N
MW384.14 g/mol
LogP4.58
Rot. Bonds1

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

4-chloro-1-(4-chlorophenyl)-2-oxo-7-(trifluoromethyl)-1,8-naphthyridine-3-carbonitrile (PubChem CID 162752649) has the molecular formula C16H6Cl2F3N3O and a molecular weight of 384.14 g/mol. Its IUPAC name is 4-chloro-1-(4-chlorophenyl)-2-oxo-7-(trifluoromethyl)-1,8-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name4-chloro-1-(4-chlorophenyl)-2-oxo-7-(trifluoromethyl)-1,8-naphthyridine-3-carbonitrile
PubChem CID162752649
Molecular FormulaC16H6Cl2F3N3O
Molecular Weight384.14 g/mol
Exact Mass382.98
IUPAC Name4-chloro-1-(4-chlorophenyl)-2-oxo-7-(trifluoromethyl)-1,8-naphthyridine-3-carbonitrile
SMILESN#Cc1c(Cl)c2ccc(C(F)(F)F)nc2n(-c2ccc(Cl)cc2)c1=O
InChIInChI=1S/C16H6Cl2F3N3O/c17-8-1-3-9(4-2-8)24-14-10(13(18)11(7-22)15(24)25)5-6-12(23-14)16(19,20)21/h1-6H
InChIKeyHINFZLNTHJJMIQ-UHFFFAOYSA-N
XLogP4.58
TPSA58.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.14
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-chloro-1-(4-chlorophenyl)-2-oxo-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

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(4-chlorophenyl)-2-oxo-7-(trifluoromethyl)-1,8-naphthyridine-3-carbonitrile?
The IUPAC name of 4-chloro-1-(4-chlorophenyl)-2-oxo-7-(trifluoromethyl)-1,8-naphthyridine-3-carbonitrile (CID 162752649) is 4-chloro-1-(4-chlorophenyl)-2-oxo-7-(trifluoromethyl)-1,8-naphthyridine-3-carbonitrile.
What is the SMILES notation for 4-chloro-1-(4-chlorophenyl)-2-oxo-7-(trifluoromethyl)-1,8-naphthyridine-3-carbonitrile?
The canonical SMILES for 4-chloro-1-(4-chlorophenyl)-2-oxo-7-(trifluoromethyl)-1,8-naphthyridine-3-carbonitrile is N#Cc1c(Cl)c2ccc(C(F)(F)F)nc2n(-c2ccc(Cl)cc2)c1=O.
What is the InChIKey of 4-chloro-1-(4-chlorophenyl)-2-oxo-7-(trifluoromethyl)-1,8-naphthyridine-3-carbonitrile?
The InChIKey is HINFZLNTHJJMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H6Cl2F3N3O/c17-8-1-3-9(4-2-8)24-14-10(13(18)11(7-22)15(24)25)5-6-12(23-14)16(19,20)21/h1-6H.
What are the key properties of 4-chloro-1-(4-chlorophenyl)-2-oxo-7-(trifluoromethyl)-1,8-naphthyridine-3-carbonitrile?
4-chloro-1-(4-chlorophenyl)-2-oxo-7-(trifluoromethyl)-1,8-naphthyridine-3-carbonitrile has a molecular weight of 384.14 g/mol, XLogP of 4.58, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(4-chlorophenyl)-2-oxo-7-(trifluoromethyl)-1,8-naphthyridine-3-carbonitrile is sourced from PubChem (CID 162752649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).