6-[(4-chlorophenyl)-methoxy-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(2-methylphenyl)quinolin-2-one

C29H26ClN3O2 — CID 46237002

IUPAC6-[(4-chlorophenyl)-methoxy-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(2-methylphenyl)quinolin-2-one
SMILESCOC(c1ccc(Cl)cc1)(c1ccc2c(c1)c(-c1ccccc1C)cc(=O)n2C)c1cncn1C
InChIInChI=1S/C29H26ClN3O2/c1-19-7-5-6-8-23(19)24-16-28(34)33(3)26-14-11-21(15-25(24)26)29(35-4,27-17-31-18-32(27)2)20-9-12-22(30)13-10-20/h5-18H,1-4H3
InChIKeyOUKHOMKSRDQHPO-UHFFFAOYSA-N
MW484.00 g/mol
LogP5.84
Rot. Bonds5

About 6-[(4-chlorophenyl)-methoxy-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(2-methylphenyl)quinolin-2-one

6-[(4-chlorophenyl)-methoxy-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(2-methylphenyl)quinolin-2-one (PubChem CID 46237002) has the molecular formula C29H26ClN3O2 and a molecular weight of 484.00 g/mol. Its IUPAC name is 6-[(4-chlorophenyl)-methoxy-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(2-methylphenyl)quinolin-2-one.

Molecular Properties

Compound Name6-[(4-chlorophenyl)-methoxy-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(2-methylphenyl)quinolin-2-one
PubChem CID46237002
Molecular FormulaC29H26ClN3O2
Molecular Weight484.00 g/mol
Exact Mass483.17
IUPAC Name6-[(4-chlorophenyl)-methoxy-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(2-methylphenyl)quinolin-2-one
SMILESCOC(c1ccc(Cl)cc1)(c1ccc2c(c1)c(-c1ccccc1C)cc(=O)n2C)c1cncn1C
InChIInChI=1S/C29H26ClN3O2/c1-19-7-5-6-8-23(19)24-16-28(34)33(3)26-14-11-21(15-25(24)26)29(35-4,27-17-31-18-32(27)2)20-9-12-22(30)13-10-20/h5-18H,1-4H3
InChIKeyOUKHOMKSRDQHPO-UHFFFAOYSA-N
XLogP5.84
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.00
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-chlorophenyl)-methoxy-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(2-methylphenyl)quinolin-2-one?
The IUPAC name of 6-[(4-chlorophenyl)-methoxy-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(2-methylphenyl)quinolin-2-one (CID 46237002) is 6-[(4-chlorophenyl)-methoxy-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(2-methylphenyl)quinolin-2-one.
What is the SMILES notation for 6-[(4-chlorophenyl)-methoxy-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(2-methylphenyl)quinolin-2-one?
The canonical SMILES for 6-[(4-chlorophenyl)-methoxy-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(2-methylphenyl)quinolin-2-one is COC(c1ccc(Cl)cc1)(c1ccc2c(c1)c(-c1ccccc1C)cc(=O)n2C)c1cncn1C.
What is the InChIKey of 6-[(4-chlorophenyl)-methoxy-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(2-methylphenyl)quinolin-2-one?
The InChIKey is OUKHOMKSRDQHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26ClN3O2/c1-19-7-5-6-8-23(19)24-16-28(34)33(3)26-14-11-21(15-25(24)26)29(35-4,27-17-31-18-32(27)2)20-9-12-22(30)13-10-20/h5-18H,1-4H3.
What are the key properties of 6-[(4-chlorophenyl)-methoxy-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(2-methylphenyl)quinolin-2-one?
6-[(4-chlorophenyl)-methoxy-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(2-methylphenyl)quinolin-2-one has a molecular weight of 484.00 g/mol, XLogP of 5.84, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chlorophenyl)-methoxy-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(2-methylphenyl)quinolin-2-one is sourced from PubChem (CID 46237002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).