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

C29H27N3O3 — CID 21302391

IUPAC6-[hydroxy-(4-methoxyphenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(2-methylphenyl)quinolin-2-one
SMILESCOc1ccc(C(O)(c2ccc3c(c2)c(-c2ccccc2C)cc(=O)n3C)c2cncn2C)cc1
InChIInChI=1S/C29H27N3O3/c1-19-7-5-6-8-23(19)24-16-28(33)32(3)26-14-11-21(15-25(24)26)29(34,27-17-30-18-31(27)2)20-9-12-22(35-4)13-10-20/h5-18,34H,1-4H3
InChIKeyYOQZFBRRDJXNFL-UHFFFAOYSA-N
MW465.55 g/mol
LogP4.54
Rot. Bonds5

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

6-[hydroxy-(4-methoxyphenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(2-methylphenyl)quinolin-2-one (PubChem CID 21302391) has the molecular formula C29H27N3O3 and a molecular weight of 465.55 g/mol. Its IUPAC name is 6-[hydroxy-(4-methoxyphenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(2-methylphenyl)quinolin-2-one.

Molecular Properties

Compound Name6-[hydroxy-(4-methoxyphenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(2-methylphenyl)quinolin-2-one
PubChem CID21302391
Molecular FormulaC29H27N3O3
Molecular Weight465.55 g/mol
Exact Mass465.21
IUPAC Name6-[hydroxy-(4-methoxyphenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(2-methylphenyl)quinolin-2-one
SMILESCOc1ccc(C(O)(c2ccc3c(c2)c(-c2ccccc2C)cc(=O)n3C)c2cncn2C)cc1
InChIInChI=1S/C29H27N3O3/c1-19-7-5-6-8-23(19)24-16-28(33)32(3)26-14-11-21(15-25(24)26)29(34,27-17-30-18-31(27)2)20-9-12-22(35-4)13-10-20/h5-18,34H,1-4H3
InChIKeyYOQZFBRRDJXNFL-UHFFFAOYSA-N
XLogP4.54
TPSA69.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.55
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[hydroxy-(4-methoxyphenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(2-methylphenyl)quinolin-2-one?
The IUPAC name of 6-[hydroxy-(4-methoxyphenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(2-methylphenyl)quinolin-2-one (CID 21302391) is 6-[hydroxy-(4-methoxyphenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(2-methylphenyl)quinolin-2-one.
What is the SMILES notation for 6-[hydroxy-(4-methoxyphenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(2-methylphenyl)quinolin-2-one?
The canonical SMILES for 6-[hydroxy-(4-methoxyphenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(2-methylphenyl)quinolin-2-one is COc1ccc(C(O)(c2ccc3c(c2)c(-c2ccccc2C)cc(=O)n3C)c2cncn2C)cc1.
What is the InChIKey of 6-[hydroxy-(4-methoxyphenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(2-methylphenyl)quinolin-2-one?
The InChIKey is YOQZFBRRDJXNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N3O3/c1-19-7-5-6-8-23(19)24-16-28(33)32(3)26-14-11-21(15-25(24)26)29(34,27-17-30-18-31(27)2)20-9-12-22(35-4)13-10-20/h5-18,34H,1-4H3.
What are the key properties of 6-[hydroxy-(4-methoxyphenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(2-methylphenyl)quinolin-2-one?
6-[hydroxy-(4-methoxyphenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(2-methylphenyl)quinolin-2-one has a molecular weight of 465.55 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[hydroxy-(4-methoxyphenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(2-methylphenyl)quinolin-2-one is sourced from PubChem (CID 21302391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).