6-[(4-chlorophenyl)-fluoromethyl]-1-methyl-4-(3-methylphenyl)-1,5-naphthyridin-2-one;1-methylimidazole

C27H24ClFN4O — CID 143997344

IUPAC6-[(4-chlorophenyl)-fluoromethyl]-1-methyl-4-(3-methylphenyl)-1,5-naphthyridin-2-one;1-methylimidazole
SMILESCc1cccc(-c2cc(=O)n(C)c3ccc(C(F)c4ccc(Cl)cc4)nc23)c1.Cn1ccnc1
InChIInChI=1S/C23H18ClFN2O.C4H6N2/c1-14-4-3-5-16(12-14)18-13-21(28)27(2)20-11-10-19(26-23(18)20)22(25)15-6-8-17(24)9-7-15;1-6-3-2-5-4-6/h3-13,22H,1-2H3;2-4H,1H3
InChIKeyUWNUMDMLQXXSOZ-UHFFFAOYSA-N
MW474.97 g/mol
LogP6.04
Rot. Bonds3

About 6-[(4-chlorophenyl)-fluoromethyl]-1-methyl-4-(3-methylphenyl)-1,5-naphthyridin-2-one;1-methylimidazole

6-[(4-chlorophenyl)-fluoromethyl]-1-methyl-4-(3-methylphenyl)-1,5-naphthyridin-2-one;1-methylimidazole (PubChem CID 143997344) has the molecular formula C27H24ClFN4O and a molecular weight of 474.97 g/mol. Its IUPAC name is 6-[(4-chlorophenyl)-fluoromethyl]-1-methyl-4-(3-methylphenyl)-1,5-naphthyridin-2-one;1-methylimidazole.

Molecular Properties

Compound Name6-[(4-chlorophenyl)-fluoromethyl]-1-methyl-4-(3-methylphenyl)-1,5-naphthyridin-2-one;1-methylimidazole
PubChem CID143997344
Molecular FormulaC27H24ClFN4O
Molecular Weight474.97 g/mol
Exact Mass474.16
IUPAC Name6-[(4-chlorophenyl)-fluoromethyl]-1-methyl-4-(3-methylphenyl)-1,5-naphthyridin-2-one;1-methylimidazole
SMILESCc1cccc(-c2cc(=O)n(C)c3ccc(C(F)c4ccc(Cl)cc4)nc23)c1.Cn1ccnc1
InChIInChI=1S/C23H18ClFN2O.C4H6N2/c1-14-4-3-5-16(12-14)18-13-21(28)27(2)20-11-10-19(26-23(18)20)22(25)15-6-8-17(24)9-7-15;1-6-3-2-5-4-6/h3-13,22H,1-2H3;2-4H,1H3
InChIKeyUWNUMDMLQXXSOZ-UHFFFAOYSA-N
XLogP6.04
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.97
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(4-chlorophenyl)-fluoromethyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,5-naphthyridin-2-one;1-methylimidazole
CID 143997364
6-[(4-chlorophenyl)-fluoromethyl]-1-methyl-4-(4-methylthiophen-2-yl)-1,7-naphthyridin-2-one;1-methylimidazole
CID 143997464
4-(3-chlorophenyl)-6-[(4-chlorophenyl)-hydroxymethyl]-1-methyl-1,7-naphthyridin-2-one;1-methylimidazole
CID 143997357
4-(3-chlorophenyl)-6-[(4-chlorophenyl)-imidazol-1-ylmethyl]-1-methylquinolin-2-one
CID 11604992
6-[(4-chlorophenyl)-fluoromethyl]-1-(cyclopropylmethyl)-4-(3-ethynylphenyl)-1,7-naphthyridin-2-one;1-methylimidazole
CID 143997310
6-[(4-chlorophenyl)-hydroxymethyl]-4-(6-chloro-2-pyridinyl)-1-methyl-1,5-naphthyridin-2-one
CID 143997385
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-(3-ethynylphenyl)-1-methyl-1,8-naphthyridin-2-one;1-methylimidazole
CID 143997300
6-[amino-(4-chlorophenyl)methyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,5-naphthyridin-2-one;1-methyltriazole
CID 143997449
4-[amino-[4-(6-chloro-2-pyridinyl)-1-methyl-2-oxoquinolin-6-yl]methyl]benzonitrile;1-methylimidazole
CID 143910621
6-[amino-(4-chlorophenyl)methyl]-4-(6-ethynyl-2-pyridinyl)-1-methyl-1,8-naphthyridin-2-one;1-methylimidazole
CID 143997532
6-[(4-chlorophenyl)-hydroxymethyl]-4-(3-fluorophenyl)-1-methyl-1,7-naphthyridin-2-one
CID 143997369

Frequently Asked Questions

What is the IUPAC name of 6-[(4-chlorophenyl)-fluoromethyl]-1-methyl-4-(3-methylphenyl)-1,5-naphthyridin-2-one;1-methylimidazole?
The IUPAC name of 6-[(4-chlorophenyl)-fluoromethyl]-1-methyl-4-(3-methylphenyl)-1,5-naphthyridin-2-one;1-methylimidazole (CID 143997344) is 6-[(4-chlorophenyl)-fluoromethyl]-1-methyl-4-(3-methylphenyl)-1,5-naphthyridin-2-one;1-methylimidazole.
What is the SMILES notation for 6-[(4-chlorophenyl)-fluoromethyl]-1-methyl-4-(3-methylphenyl)-1,5-naphthyridin-2-one;1-methylimidazole?
The canonical SMILES for 6-[(4-chlorophenyl)-fluoromethyl]-1-methyl-4-(3-methylphenyl)-1,5-naphthyridin-2-one;1-methylimidazole is Cc1cccc(-c2cc(=O)n(C)c3ccc(C(F)c4ccc(Cl)cc4)nc23)c1.Cn1ccnc1.
What is the InChIKey of 6-[(4-chlorophenyl)-fluoromethyl]-1-methyl-4-(3-methylphenyl)-1,5-naphthyridin-2-one;1-methylimidazole?
The InChIKey is UWNUMDMLQXXSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClFN2O.C4H6N2/c1-14-4-3-5-16(12-14)18-13-21(28)27(2)20-11-10-19(26-23(18)20)22(25)15-6-8-17(24)9-7-15;1-6-3-2-5-4-6/h3-13,22H,1-2H3;2-4H,1H3.
What are the key properties of 6-[(4-chlorophenyl)-fluoromethyl]-1-methyl-4-(3-methylphenyl)-1,5-naphthyridin-2-one;1-methylimidazole?
6-[(4-chlorophenyl)-fluoromethyl]-1-methyl-4-(3-methylphenyl)-1,5-naphthyridin-2-one;1-methylimidazole has a molecular weight of 474.97 g/mol, XLogP of 6.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chlorophenyl)-fluoromethyl]-1-methyl-4-(3-methylphenyl)-1,5-naphthyridin-2-one;1-methylimidazole is sourced from PubChem (CID 143997344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).