4-amino-1-(4-chloro-2-fluorophenyl)-7-methyl-3-(1-methyl-6-oxo-3-pyridinyl)-1,8-naphthyridin-2-one

C21H16ClFN4O2 — CID 175617101

IUPAC4-amino-1-(4-chloro-2-fluorophenyl)-7-methyl-3-(1-methyl-6-oxo-3-pyridinyl)-1,8-naphthyridin-2-one
SMILESCc1ccc2c(N)c(-c3ccc(=O)n(C)c3)c(=O)n(-c3ccc(Cl)cc3F)c2n1
InChIInChI=1S/C21H16ClFN4O2/c1-11-3-6-14-19(24)18(12-4-8-17(28)26(2)10-12)21(29)27(20(14)25-11)16-7-5-13(22)9-15(16)23/h3-10H,24H2,1-2H3
InChIKeyCVKXKXVIUUJAKF-UHFFFAOYSA-N
MW410.84 g/mol
LogP3.43
Rot. Bonds2

About 4-amino-1-(4-chloro-2-fluorophenyl)-7-methyl-3-(1-methyl-6-oxo-3-pyridinyl)-1,8-naphthyridin-2-one

4-amino-1-(4-chloro-2-fluorophenyl)-7-methyl-3-(1-methyl-6-oxo-3-pyridinyl)-1,8-naphthyridin-2-one (PubChem CID 175617101) has the molecular formula C21H16ClFN4O2 and a molecular weight of 410.84 g/mol. Its IUPAC name is 4-amino-1-(4-chloro-2-fluorophenyl)-7-methyl-3-(1-methyl-6-oxo-3-pyridinyl)-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name4-amino-1-(4-chloro-2-fluorophenyl)-7-methyl-3-(1-methyl-6-oxo-3-pyridinyl)-1,8-naphthyridin-2-one
PubChem CID175617101
Molecular FormulaC21H16ClFN4O2
Molecular Weight410.84 g/mol
Exact Mass410.09
IUPAC Name4-amino-1-(4-chloro-2-fluorophenyl)-7-methyl-3-(1-methyl-6-oxo-3-pyridinyl)-1,8-naphthyridin-2-one
SMILESCc1ccc2c(N)c(-c3ccc(=O)n(C)c3)c(=O)n(-c3ccc(Cl)cc3F)c2n1
InChIInChI=1S/C21H16ClFN4O2/c1-11-3-6-14-19(24)18(12-4-8-17(28)26(2)10-12)21(29)27(20(14)25-11)16-7-5-13(22)9-15(16)23/h3-10H,24H2,1-2H3
InChIKeyCVKXKXVIUUJAKF-UHFFFAOYSA-N
XLogP3.43
TPSA82.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.84
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-amino-1-(4-chloro-2-fluorophenyl)-7-methyl-3-(1-methyl-6-oxo-3-pyridinyl)-1,8-naphthyridin-2-one 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-amino-1-(4-chloro-2-fluorophenyl)-7-methyl-3-(1-methyl-6-oxo-3-pyridinyl)-1,8-naphthyridin-2-one?
The IUPAC name of 4-amino-1-(4-chloro-2-fluorophenyl)-7-methyl-3-(1-methyl-6-oxo-3-pyridinyl)-1,8-naphthyridin-2-one (CID 175617101) is 4-amino-1-(4-chloro-2-fluorophenyl)-7-methyl-3-(1-methyl-6-oxo-3-pyridinyl)-1,8-naphthyridin-2-one.
What is the SMILES notation for 4-amino-1-(4-chloro-2-fluorophenyl)-7-methyl-3-(1-methyl-6-oxo-3-pyridinyl)-1,8-naphthyridin-2-one?
The canonical SMILES for 4-amino-1-(4-chloro-2-fluorophenyl)-7-methyl-3-(1-methyl-6-oxo-3-pyridinyl)-1,8-naphthyridin-2-one is Cc1ccc2c(N)c(-c3ccc(=O)n(C)c3)c(=O)n(-c3ccc(Cl)cc3F)c2n1.
What is the InChIKey of 4-amino-1-(4-chloro-2-fluorophenyl)-7-methyl-3-(1-methyl-6-oxo-3-pyridinyl)-1,8-naphthyridin-2-one?
The InChIKey is CVKXKXVIUUJAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClFN4O2/c1-11-3-6-14-19(24)18(12-4-8-17(28)26(2)10-12)21(29)27(20(14)25-11)16-7-5-13(22)9-15(16)23/h3-10H,24H2,1-2H3.
What are the key properties of 4-amino-1-(4-chloro-2-fluorophenyl)-7-methyl-3-(1-methyl-6-oxo-3-pyridinyl)-1,8-naphthyridin-2-one?
4-amino-1-(4-chloro-2-fluorophenyl)-7-methyl-3-(1-methyl-6-oxo-3-pyridinyl)-1,8-naphthyridin-2-one has a molecular weight of 410.84 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(4-chloro-2-fluorophenyl)-7-methyl-3-(1-methyl-6-oxo-3-pyridinyl)-1,8-naphthyridin-2-one is sourced from PubChem (CID 175617101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).