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

C17H9ClF3N3O — CID 162752632

IUPAC4-chloro-1-(4-methylphenyl)-2-oxo-7-(trifluoromethyl)-1,8-naphthyridine-3-carbonitrile
SMILESCc1ccc(-n2c(=O)c(C#N)c(Cl)c3ccc(C(F)(F)F)nc32)cc1
InChIInChI=1S/C17H9ClF3N3O/c1-9-2-4-10(5-3-9)24-15-11(14(18)12(8-22)16(24)25)6-7-13(23-15)17(19,20)21/h2-7H,1H3
InChIKeyPHTVWNJIYUQAMC-UHFFFAOYSA-N
MW363.73 g/mol
LogP4.24
Rot. Bonds1

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

4-chloro-1-(4-methylphenyl)-2-oxo-7-(trifluoromethyl)-1,8-naphthyridine-3-carbonitrile (PubChem CID 162752632) has the molecular formula C17H9ClF3N3O and a molecular weight of 363.73 g/mol. Its IUPAC name is 4-chloro-1-(4-methylphenyl)-2-oxo-7-(trifluoromethyl)-1,8-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name4-chloro-1-(4-methylphenyl)-2-oxo-7-(trifluoromethyl)-1,8-naphthyridine-3-carbonitrile
PubChem CID162752632
Molecular FormulaC17H9ClF3N3O
Molecular Weight363.73 g/mol
Exact Mass363.04
IUPAC Name4-chloro-1-(4-methylphenyl)-2-oxo-7-(trifluoromethyl)-1,8-naphthyridine-3-carbonitrile
SMILESCc1ccc(-n2c(=O)c(C#N)c(Cl)c3ccc(C(F)(F)F)nc32)cc1
InChIInChI=1S/C17H9ClF3N3O/c1-9-2-4-10(5-3-9)24-15-11(14(18)12(8-22)16(24)25)6-7-13(23-15)17(19,20)21/h2-7H,1H3
InChIKeyPHTVWNJIYUQAMC-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-1-(4-methylphenyl)-2-oxo-7-(trifluoromethyl)-1,8-naphthyridine-3-carbonitrile?
The IUPAC name of 4-chloro-1-(4-methylphenyl)-2-oxo-7-(trifluoromethyl)-1,8-naphthyridine-3-carbonitrile (CID 162752632) is 4-chloro-1-(4-methylphenyl)-2-oxo-7-(trifluoromethyl)-1,8-naphthyridine-3-carbonitrile.
What is the SMILES notation for 4-chloro-1-(4-methylphenyl)-2-oxo-7-(trifluoromethyl)-1,8-naphthyridine-3-carbonitrile?
The canonical SMILES for 4-chloro-1-(4-methylphenyl)-2-oxo-7-(trifluoromethyl)-1,8-naphthyridine-3-carbonitrile is Cc1ccc(-n2c(=O)c(C#N)c(Cl)c3ccc(C(F)(F)F)nc32)cc1.
What is the InChIKey of 4-chloro-1-(4-methylphenyl)-2-oxo-7-(trifluoromethyl)-1,8-naphthyridine-3-carbonitrile?
The InChIKey is PHTVWNJIYUQAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9ClF3N3O/c1-9-2-4-10(5-3-9)24-15-11(14(18)12(8-22)16(24)25)6-7-13(23-15)17(19,20)21/h2-7H,1H3.
What are the key properties of 4-chloro-1-(4-methylphenyl)-2-oxo-7-(trifluoromethyl)-1,8-naphthyridine-3-carbonitrile?
4-chloro-1-(4-methylphenyl)-2-oxo-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-1-(4-methylphenyl)-2-oxo-7-(trifluoromethyl)-1,8-naphthyridine-3-carbonitrile is sourced from PubChem (CID 162752632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).