1-[(2-chloro-4-fluorophenyl)methyl]-3-(4-fluorobenzoyl)-7-methyl-1,8-naphthyridin-4-one

C23H15ClF2N2O2 — CID 50759461

IUPAC1-[(2-chloro-4-fluorophenyl)methyl]-3-(4-fluorobenzoyl)-7-methyl-1,8-naphthyridin-4-one
SMILESCc1ccc2c(=O)c(C(=O)c3ccc(F)cc3)cn(Cc3ccc(F)cc3Cl)c2n1
InChIInChI=1S/C23H15ClF2N2O2/c1-13-2-9-18-22(30)19(21(29)14-3-6-16(25)7-4-14)12-28(23(18)27-13)11-15-5-8-17(26)10-20(15)24/h2-10,12H,11H2,1H3
InChIKeyRAAWEJDLHYLTID-UHFFFAOYSA-N
MW424.83 g/mol
LogP4.92
Rot. Bonds4

About 1-[(2-chloro-4-fluorophenyl)methyl]-3-(4-fluorobenzoyl)-7-methyl-1,8-naphthyridin-4-one

1-[(2-chloro-4-fluorophenyl)methyl]-3-(4-fluorobenzoyl)-7-methyl-1,8-naphthyridin-4-one (PubChem CID 50759461) has the molecular formula C23H15ClF2N2O2 and a molecular weight of 424.83 g/mol. Its IUPAC name is 1-[(2-chloro-4-fluorophenyl)methyl]-3-(4-fluorobenzoyl)-7-methyl-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name1-[(2-chloro-4-fluorophenyl)methyl]-3-(4-fluorobenzoyl)-7-methyl-1,8-naphthyridin-4-one
PubChem CID50759461
Molecular FormulaC23H15ClF2N2O2
Molecular Weight424.83 g/mol
Exact Mass424.08
IUPAC Name1-[(2-chloro-4-fluorophenyl)methyl]-3-(4-fluorobenzoyl)-7-methyl-1,8-naphthyridin-4-one
SMILESCc1ccc2c(=O)c(C(=O)c3ccc(F)cc3)cn(Cc3ccc(F)cc3Cl)c2n1
InChIInChI=1S/C23H15ClF2N2O2/c1-13-2-9-18-22(30)19(21(29)14-3-6-16(25)7-4-14)12-28(23(18)27-13)11-15-5-8-17(26)10-20(15)24/h2-10,12H,11H2,1H3
InChIKeyRAAWEJDLHYLTID-UHFFFAOYSA-N
XLogP4.92
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.83
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-4-fluorophenyl)methyl]-3-(4-fluorobenzoyl)-7-methyl-1,8-naphthyridin-4-one?
The IUPAC name of 1-[(2-chloro-4-fluorophenyl)methyl]-3-(4-fluorobenzoyl)-7-methyl-1,8-naphthyridin-4-one (CID 50759461) is 1-[(2-chloro-4-fluorophenyl)methyl]-3-(4-fluorobenzoyl)-7-methyl-1,8-naphthyridin-4-one.
What is the SMILES notation for 1-[(2-chloro-4-fluorophenyl)methyl]-3-(4-fluorobenzoyl)-7-methyl-1,8-naphthyridin-4-one?
The canonical SMILES for 1-[(2-chloro-4-fluorophenyl)methyl]-3-(4-fluorobenzoyl)-7-methyl-1,8-naphthyridin-4-one is Cc1ccc2c(=O)c(C(=O)c3ccc(F)cc3)cn(Cc3ccc(F)cc3Cl)c2n1.
What is the InChIKey of 1-[(2-chloro-4-fluorophenyl)methyl]-3-(4-fluorobenzoyl)-7-methyl-1,8-naphthyridin-4-one?
The InChIKey is RAAWEJDLHYLTID-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClF2N2O2/c1-13-2-9-18-22(30)19(21(29)14-3-6-16(25)7-4-14)12-28(23(18)27-13)11-15-5-8-17(26)10-20(15)24/h2-10,12H,11H2,1H3.
What are the key properties of 1-[(2-chloro-4-fluorophenyl)methyl]-3-(4-fluorobenzoyl)-7-methyl-1,8-naphthyridin-4-one?
1-[(2-chloro-4-fluorophenyl)methyl]-3-(4-fluorobenzoyl)-7-methyl-1,8-naphthyridin-4-one has a molecular weight of 424.83 g/mol, XLogP of 4.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-4-fluorophenyl)methyl]-3-(4-fluorobenzoyl)-7-methyl-1,8-naphthyridin-4-one is sourced from PubChem (CID 50759461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).