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

C26H22Cl2N4O2 — CID 143997357

IUPAC4-(3-chlorophenyl)-6-[(4-chlorophenyl)-hydroxymethyl]-1-methyl-1,7-naphthyridin-2-one;1-methylimidazole
SMILESCn1c(=O)cc(-c2cccc(Cl)c2)c2cc(C(O)c3ccc(Cl)cc3)ncc21.Cn1ccnc1
InChIInChI=1S/C22H16Cl2N2O2.C4H6N2/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;1-6-3-2-5-4-6/h2-12,22,28H,1H3;2-4H,1H3
InChIKeyKEECEYFUQLPHNB-UHFFFAOYSA-N
MW493.39 g/mol
LogP5.41
Rot. Bonds3

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

4-(3-chlorophenyl)-6-[(4-chlorophenyl)-hydroxymethyl]-1-methyl-1,7-naphthyridin-2-one;1-methylimidazole (PubChem CID 143997357) has the molecular formula C26H22Cl2N4O2 and a molecular weight of 493.39 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-6-[(4-chlorophenyl)-hydroxymethyl]-1-methyl-1,7-naphthyridin-2-one;1-methylimidazole.

Molecular Properties

Compound Name4-(3-chlorophenyl)-6-[(4-chlorophenyl)-hydroxymethyl]-1-methyl-1,7-naphthyridin-2-one;1-methylimidazole
PubChem CID143997357
Molecular FormulaC26H22Cl2N4O2
Molecular Weight493.39 g/mol
Exact Mass492.11
IUPAC Name4-(3-chlorophenyl)-6-[(4-chlorophenyl)-hydroxymethyl]-1-methyl-1,7-naphthyridin-2-one;1-methylimidazole
SMILESCn1c(=O)cc(-c2cccc(Cl)c2)c2cc(C(O)c3ccc(Cl)cc3)ncc21.Cn1ccnc1
InChIInChI=1S/C22H16Cl2N2O2.C4H6N2/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;1-6-3-2-5-4-6/h2-12,22,28H,1H3;2-4H,1H3
InChIKeyKEECEYFUQLPHNB-UHFFFAOYSA-N
XLogP5.41
TPSA72.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.39
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-fluorophenyl)-1-methyl-1,7-naphthyridin-2-one
CID 143997369
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
6-[(4-chlorophenyl)-fluoromethyl]-1-methyl-4-(3-methylphenyl)-1,5-naphthyridin-2-one;1-methylimidazole
CID 143997344
6-(4-chlorobenzoyl)-4-(3-chlorophenyl)-1-methylquinolin-2-one
CID 11452553
4-(3-chlorophenyl)-6-[(S)-(4-chlorophenyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-1-methyl-1,7-naphthyridin-2-one
CID 46206579
6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one;hydrochloride
CID 168994781
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)-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-(3-methylimidazol-4-yl)methyl]-1-methylquinolin-2-one
CID 11592576

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-6-[(4-chlorophenyl)-hydroxymethyl]-1-methyl-1,7-naphthyridin-2-one;1-methylimidazole?
The IUPAC name of 4-(3-chlorophenyl)-6-[(4-chlorophenyl)-hydroxymethyl]-1-methyl-1,7-naphthyridin-2-one;1-methylimidazole (CID 143997357) is 4-(3-chlorophenyl)-6-[(4-chlorophenyl)-hydroxymethyl]-1-methyl-1,7-naphthyridin-2-one;1-methylimidazole.
What is the SMILES notation for 4-(3-chlorophenyl)-6-[(4-chlorophenyl)-hydroxymethyl]-1-methyl-1,7-naphthyridin-2-one;1-methylimidazole?
The canonical SMILES for 4-(3-chlorophenyl)-6-[(4-chlorophenyl)-hydroxymethyl]-1-methyl-1,7-naphthyridin-2-one;1-methylimidazole is Cn1c(=O)cc(-c2cccc(Cl)c2)c2cc(C(O)c3ccc(Cl)cc3)ncc21.Cn1ccnc1.
What is the InChIKey of 4-(3-chlorophenyl)-6-[(4-chlorophenyl)-hydroxymethyl]-1-methyl-1,7-naphthyridin-2-one;1-methylimidazole?
The InChIKey is KEECEYFUQLPHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl2N2O2.C4H6N2/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;1-6-3-2-5-4-6/h2-12,22,28H,1H3;2-4H,1H3.
What are the key properties of 4-(3-chlorophenyl)-6-[(4-chlorophenyl)-hydroxymethyl]-1-methyl-1,7-naphthyridin-2-one;1-methylimidazole?
4-(3-chlorophenyl)-6-[(4-chlorophenyl)-hydroxymethyl]-1-methyl-1,7-naphthyridin-2-one;1-methylimidazole has a molecular weight of 493.39 g/mol, XLogP of 5.41, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-6-[(4-chlorophenyl)-hydroxymethyl]-1-methyl-1,7-naphthyridin-2-one;1-methylimidazole is sourced from PubChem (CID 143997357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).