6-[(4-chlorophenyl)-hydroxymethyl]-4-(3-fluorophenyl)-1-methyl-1,7-naphthyridin-2-one

C22H16ClFN2O2 — CID 143997369

IUPAC6-[(4-chlorophenyl)-hydroxymethyl]-4-(3-fluorophenyl)-1-methyl-1,7-naphthyridin-2-one
SMILESCn1c(=O)cc(-c2cccc(F)c2)c2cc(C(O)c3ccc(Cl)cc3)ncc21
InChIInChI=1S/C22H16ClFN2O2/c1-26-20-12-25-19(22(28)13-5-7-15(23)8-6-13)10-18(20)17(11-21(26)27)14-3-2-4-16(24)9-14/h2-12,22,28H,1H3
InChIKeyHLDZOIRYUDWEGK-UHFFFAOYSA-N
MW394.83 g/mol
LogP4.47
Rot. Bonds3

About 6-[(4-chlorophenyl)-hydroxymethyl]-4-(3-fluorophenyl)-1-methyl-1,7-naphthyridin-2-one

6-[(4-chlorophenyl)-hydroxymethyl]-4-(3-fluorophenyl)-1-methyl-1,7-naphthyridin-2-one (PubChem CID 143997369) has the molecular formula C22H16ClFN2O2 and a molecular weight of 394.83 g/mol. Its IUPAC name is 6-[(4-chlorophenyl)-hydroxymethyl]-4-(3-fluorophenyl)-1-methyl-1,7-naphthyridin-2-one.

Molecular Properties

Compound Name6-[(4-chlorophenyl)-hydroxymethyl]-4-(3-fluorophenyl)-1-methyl-1,7-naphthyridin-2-one
PubChem CID143997369
Molecular FormulaC22H16ClFN2O2
Molecular Weight394.83 g/mol
Exact Mass394.09
IUPAC Name6-[(4-chlorophenyl)-hydroxymethyl]-4-(3-fluorophenyl)-1-methyl-1,7-naphthyridin-2-one
SMILESCn1c(=O)cc(-c2cccc(F)c2)c2cc(C(O)c3ccc(Cl)cc3)ncc21
InChIInChI=1S/C22H16ClFN2O2/c1-26-20-12-25-19(22(28)13-5-7-15(23)8-6-13)10-18(20)17(11-21(26)27)14-3-2-4-16(24)9-14/h2-12,22,28H,1H3
InChIKeyHLDZOIRYUDWEGK-UHFFFAOYSA-N
XLogP4.47
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.83
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[(4-chlorophenyl)-hydroxymethyl]-4-(3-fluorophenyl)-1-methyl-1,7-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

Related Compounds

4-(3-chlorophenyl)-6-[(4-chlorophenyl)-hydroxymethyl]-1-methyl-1,7-naphthyridin-2-one;1-methylimidazole
CID 143997357
6-[(4-chlorophenyl)-hydroxymethyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,7-naphthyridin-2-one;1-methylimidazole
CID 143997386
6-[(4-chlorophenyl)-hydroxymethyl]-4-(6-chloro-2-pyridinyl)-1-methyl-1,5-naphthyridin-2-one
CID 143997385
4-(3-chlorophenyl)-6-[(S)-(4-chlorophenyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-1-methyl-1,7-naphthyridin-2-one
CID 46206579
6-(4-chlorobenzoyl)-4-(3-chlorophenyl)-1-methylquinolin-2-one
CID 11452553
4-(3-chlorophenyl)-6-[(4-chlorophenyl)-imidazol-1-ylmethyl]-1-methylquinolin-2-one
CID 11604992
6-[(4-chlorophenyl)-hydroxymethyl]-4-(3-ethynylphenyl)-1-methyl-1,8-naphthyridin-2-one;1-methylimidazole
CID 143997300
6-[(4-chlorophenyl)-fluoromethyl]-1-methyl-4-(4-methylthiophen-2-yl)-1,7-naphthyridin-2-one;1-methylimidazole
CID 143997464
6-[(4-chlorophenyl)-fluoromethyl]-1-(cyclopropylmethyl)-4-(3-ethynylphenyl)-1,7-naphthyridin-2-one;1-methylimidazole
CID 143997310
4-(4-chlorophenyl)sulfanyl-6-fluoro-1-methylquinolin-2-one
CID 24895946
6-[(4-chlorophenyl)-hydroxymethyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,8-naphthyridin-2-one
CID 143997448
bis(methyl 3-[(4-chlorophenyl)-(1-methyl-2-oxo-4-phenylquinolin-6-yl)methyl]imidazole-4-carboxylate);oxalic acid
CID 173228038

Frequently Asked Questions

What is the IUPAC name of 6-[(4-chlorophenyl)-hydroxymethyl]-4-(3-fluorophenyl)-1-methyl-1,7-naphthyridin-2-one?
The IUPAC name of 6-[(4-chlorophenyl)-hydroxymethyl]-4-(3-fluorophenyl)-1-methyl-1,7-naphthyridin-2-one (CID 143997369) is 6-[(4-chlorophenyl)-hydroxymethyl]-4-(3-fluorophenyl)-1-methyl-1,7-naphthyridin-2-one.
What is the SMILES notation for 6-[(4-chlorophenyl)-hydroxymethyl]-4-(3-fluorophenyl)-1-methyl-1,7-naphthyridin-2-one?
The canonical SMILES for 6-[(4-chlorophenyl)-hydroxymethyl]-4-(3-fluorophenyl)-1-methyl-1,7-naphthyridin-2-one is Cn1c(=O)cc(-c2cccc(F)c2)c2cc(C(O)c3ccc(Cl)cc3)ncc21.
What is the InChIKey of 6-[(4-chlorophenyl)-hydroxymethyl]-4-(3-fluorophenyl)-1-methyl-1,7-naphthyridin-2-one?
The InChIKey is HLDZOIRYUDWEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClFN2O2/c1-26-20-12-25-19(22(28)13-5-7-15(23)8-6-13)10-18(20)17(11-21(26)27)14-3-2-4-16(24)9-14/h2-12,22,28H,1H3.
What are the key properties of 6-[(4-chlorophenyl)-hydroxymethyl]-4-(3-fluorophenyl)-1-methyl-1,7-naphthyridin-2-one?
6-[(4-chlorophenyl)-hydroxymethyl]-4-(3-fluorophenyl)-1-methyl-1,7-naphthyridin-2-one has a molecular weight of 394.83 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chlorophenyl)-hydroxymethyl]-4-(3-fluorophenyl)-1-methyl-1,7-naphthyridin-2-one is sourced from PubChem (CID 143997369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).