4-(4-fluorophenyl)-1,5,7-trimethyl-2-oxo-1,8-naphthyridine-3-carbonitrile

C18H14FN3O — CID 4289166

IUPAC4-(4-fluorophenyl)-1,5,7-trimethyl-2-oxo-1,8-naphthyridine-3-carbonitrile
SMILESCc1cc(C)c2c(-c3ccc(F)cc3)c(C#N)c(=O)n(C)c2n1
InChIInChI=1S/C18H14FN3O/c1-10-8-11(2)21-17-15(10)16(12-4-6-13(19)7-5-12)14(9-20)18(23)22(17)3/h4-8H,1-3H3
InChIKeyYDJFBQWWHTWPEO-UHFFFAOYSA-N
MW307.33 g/mol
LogP3.23
Rot. Bonds1

About 4-(4-fluorophenyl)-1,5,7-trimethyl-2-oxo-1,8-naphthyridine-3-carbonitrile

4-(4-fluorophenyl)-1,5,7-trimethyl-2-oxo-1,8-naphthyridine-3-carbonitrile (PubChem CID 4289166) has the molecular formula C18H14FN3O and a molecular weight of 307.33 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-1,5,7-trimethyl-2-oxo-1,8-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(4-fluorophenyl)-1,5,7-trimethyl-2-oxo-1,8-naphthyridine-3-carbonitrile
PubChem CID4289166
Molecular FormulaC18H14FN3O
Molecular Weight307.33 g/mol
Exact Mass307.11
IUPAC Name4-(4-fluorophenyl)-1,5,7-trimethyl-2-oxo-1,8-naphthyridine-3-carbonitrile
SMILESCc1cc(C)c2c(-c3ccc(F)cc3)c(C#N)c(=O)n(C)c2n1
InChIInChI=1S/C18H14FN3O/c1-10-8-11(2)21-17-15(10)16(12-4-6-13(19)7-5-12)14(9-20)18(23)22(17)3/h4-8H,1-3H3
InChIKeyYDJFBQWWHTWPEO-UHFFFAOYSA-N
XLogP3.23
TPSA58.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(4-fluorophenyl)-1,5,7-trimethyl-2-oxo-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-(4-fluorophenyl)-1,5,7-trimethyl-2-oxo-1,8-naphthyridine-3-carbonitrile?
The IUPAC name of 4-(4-fluorophenyl)-1,5,7-trimethyl-2-oxo-1,8-naphthyridine-3-carbonitrile (CID 4289166) is 4-(4-fluorophenyl)-1,5,7-trimethyl-2-oxo-1,8-naphthyridine-3-carbonitrile.
What is the SMILES notation for 4-(4-fluorophenyl)-1,5,7-trimethyl-2-oxo-1,8-naphthyridine-3-carbonitrile?
The canonical SMILES for 4-(4-fluorophenyl)-1,5,7-trimethyl-2-oxo-1,8-naphthyridine-3-carbonitrile is Cc1cc(C)c2c(-c3ccc(F)cc3)c(C#N)c(=O)n(C)c2n1.
What is the InChIKey of 4-(4-fluorophenyl)-1,5,7-trimethyl-2-oxo-1,8-naphthyridine-3-carbonitrile?
The InChIKey is YDJFBQWWHTWPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O/c1-10-8-11(2)21-17-15(10)16(12-4-6-13(19)7-5-12)14(9-20)18(23)22(17)3/h4-8H,1-3H3.
What are the key properties of 4-(4-fluorophenyl)-1,5,7-trimethyl-2-oxo-1,8-naphthyridine-3-carbonitrile?
4-(4-fluorophenyl)-1,5,7-trimethyl-2-oxo-1,8-naphthyridine-3-carbonitrile has a molecular weight of 307.33 g/mol, XLogP of 3.23, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-1,5,7-trimethyl-2-oxo-1,8-naphthyridine-3-carbonitrile is sourced from PubChem (CID 4289166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).