3-acetyl-2-(4-chloroanilino)-7-methyl-1-phenyl-1,8-naphthyridin-4-one

C23H18ClN3O2 — CID 20791000

IUPAC3-acetyl-2-(4-chloroanilino)-7-methyl-1-phenyl-1,8-naphthyridin-4-one
SMILESCC(=O)c1c(Nc2ccc(Cl)cc2)n(-c2ccccc2)c2nc(C)ccc2c1=O
InChIInChI=1S/C23H18ClN3O2/c1-14-8-13-19-21(29)20(15(2)28)23(26-17-11-9-16(24)10-12-17)27(22(19)25-14)18-6-4-3-5-7-18/h3-13,26H,1-2H3
InChIKeyIPLWDZSAKZZXKP-UHFFFAOYSA-N
MW403.87 g/mol
LogP5.29
Rot. Bonds4

About 3-acetyl-2-(4-chloroanilino)-7-methyl-1-phenyl-1,8-naphthyridin-4-one

3-acetyl-2-(4-chloroanilino)-7-methyl-1-phenyl-1,8-naphthyridin-4-one (PubChem CID 20791000) has the molecular formula C23H18ClN3O2 and a molecular weight of 403.87 g/mol. Its IUPAC name is 3-acetyl-2-(4-chloroanilino)-7-methyl-1-phenyl-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name3-acetyl-2-(4-chloroanilino)-7-methyl-1-phenyl-1,8-naphthyridin-4-one
PubChem CID20791000
Molecular FormulaC23H18ClN3O2
Molecular Weight403.87 g/mol
Exact Mass403.11
IUPAC Name3-acetyl-2-(4-chloroanilino)-7-methyl-1-phenyl-1,8-naphthyridin-4-one
SMILESCC(=O)c1c(Nc2ccc(Cl)cc2)n(-c2ccccc2)c2nc(C)ccc2c1=O
InChIInChI=1S/C23H18ClN3O2/c1-14-8-13-19-21(29)20(15(2)28)23(26-17-11-9-16(24)10-12-17)27(22(19)25-14)18-6-4-3-5-7-18/h3-13,26H,1-2H3
InChIKeyIPLWDZSAKZZXKP-UHFFFAOYSA-N
XLogP5.29
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.87
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-2-(4-chloroanilino)-7-methyl-1-phenyl-1,8-naphthyridin-4-one?
The IUPAC name of 3-acetyl-2-(4-chloroanilino)-7-methyl-1-phenyl-1,8-naphthyridin-4-one (CID 20791000) is 3-acetyl-2-(4-chloroanilino)-7-methyl-1-phenyl-1,8-naphthyridin-4-one.
What is the SMILES notation for 3-acetyl-2-(4-chloroanilino)-7-methyl-1-phenyl-1,8-naphthyridin-4-one?
The canonical SMILES for 3-acetyl-2-(4-chloroanilino)-7-methyl-1-phenyl-1,8-naphthyridin-4-one is CC(=O)c1c(Nc2ccc(Cl)cc2)n(-c2ccccc2)c2nc(C)ccc2c1=O.
What is the InChIKey of 3-acetyl-2-(4-chloroanilino)-7-methyl-1-phenyl-1,8-naphthyridin-4-one?
The InChIKey is IPLWDZSAKZZXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O2/c1-14-8-13-19-21(29)20(15(2)28)23(26-17-11-9-16(24)10-12-17)27(22(19)25-14)18-6-4-3-5-7-18/h3-13,26H,1-2H3.
What are the key properties of 3-acetyl-2-(4-chloroanilino)-7-methyl-1-phenyl-1,8-naphthyridin-4-one?
3-acetyl-2-(4-chloroanilino)-7-methyl-1-phenyl-1,8-naphthyridin-4-one has a molecular weight of 403.87 g/mol, XLogP of 5.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-2-(4-chloroanilino)-7-methyl-1-phenyl-1,8-naphthyridin-4-one is sourced from PubChem (CID 20791000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).