4-chloro-6-methyl-2-oxo-1-phenyl-7-(trifluoromethyl)-1,8-naphthyridine-3-carbonitrile

C17H9ClF3N3O — CID 162752669

IUPAC4-chloro-6-methyl-2-oxo-1-phenyl-7-(trifluoromethyl)-1,8-naphthyridine-3-carbonitrile
SMILESCc1cc2c(Cl)c(C#N)c(=O)n(-c3ccccc3)c2nc1C(F)(F)F
InChIInChI=1S/C17H9ClF3N3O/c1-9-7-11-13(18)12(8-22)16(25)24(10-5-3-2-4-6-10)15(11)23-14(9)17(19,20)21/h2-7H,1H3
InChIKeyOGMKKHNMZLDHQF-UHFFFAOYSA-N
MW363.73 g/mol
LogP4.24
Rot. Bonds1

About 4-chloro-6-methyl-2-oxo-1-phenyl-7-(trifluoromethyl)-1,8-naphthyridine-3-carbonitrile

4-chloro-6-methyl-2-oxo-1-phenyl-7-(trifluoromethyl)-1,8-naphthyridine-3-carbonitrile (PubChem CID 162752669) has the molecular formula C17H9ClF3N3O and a molecular weight of 363.73 g/mol. Its IUPAC name is 4-chloro-6-methyl-2-oxo-1-phenyl-7-(trifluoromethyl)-1,8-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name4-chloro-6-methyl-2-oxo-1-phenyl-7-(trifluoromethyl)-1,8-naphthyridine-3-carbonitrile
PubChem CID162752669
Molecular FormulaC17H9ClF3N3O
Molecular Weight363.73 g/mol
Exact Mass363.04
IUPAC Name4-chloro-6-methyl-2-oxo-1-phenyl-7-(trifluoromethyl)-1,8-naphthyridine-3-carbonitrile
SMILESCc1cc2c(Cl)c(C#N)c(=O)n(-c3ccccc3)c2nc1C(F)(F)F
InChIInChI=1S/C17H9ClF3N3O/c1-9-7-11-13(18)12(8-22)16(25)24(10-5-3-2-4-6-10)15(11)23-14(9)17(19,20)21/h2-7H,1H3
InChIKeyOGMKKHNMZLDHQF-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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methyl-2-oxo-1-phenyl-7-(trifluoromethyl)-1,8-naphthyridine-3-carbonitrile?
The IUPAC name of 4-chloro-6-methyl-2-oxo-1-phenyl-7-(trifluoromethyl)-1,8-naphthyridine-3-carbonitrile (CID 162752669) is 4-chloro-6-methyl-2-oxo-1-phenyl-7-(trifluoromethyl)-1,8-naphthyridine-3-carbonitrile.
What is the SMILES notation for 4-chloro-6-methyl-2-oxo-1-phenyl-7-(trifluoromethyl)-1,8-naphthyridine-3-carbonitrile?
The canonical SMILES for 4-chloro-6-methyl-2-oxo-1-phenyl-7-(trifluoromethyl)-1,8-naphthyridine-3-carbonitrile is Cc1cc2c(Cl)c(C#N)c(=O)n(-c3ccccc3)c2nc1C(F)(F)F.
What is the InChIKey of 4-chloro-6-methyl-2-oxo-1-phenyl-7-(trifluoromethyl)-1,8-naphthyridine-3-carbonitrile?
The InChIKey is OGMKKHNMZLDHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9ClF3N3O/c1-9-7-11-13(18)12(8-22)16(25)24(10-5-3-2-4-6-10)15(11)23-14(9)17(19,20)21/h2-7H,1H3.
What are the key properties of 4-chloro-6-methyl-2-oxo-1-phenyl-7-(trifluoromethyl)-1,8-naphthyridine-3-carbonitrile?
4-chloro-6-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-6-methyl-2-oxo-1-phenyl-7-(trifluoromethyl)-1,8-naphthyridine-3-carbonitrile is sourced from PubChem (CID 162752669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).