6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3,5-dimethylphenyl)-1H-quinolin-2-one

C28H24ClN3O2 — CID 46237411

IUPAC6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3,5-dimethylphenyl)-1H-quinolin-2-one
SMILESCc1cc(C)cc(-c2cc(=O)[nH]c3ccc(C(O)(c4ccc(Cl)cc4)c4cncn4C)cc23)c1
InChIInChI=1S/C28H24ClN3O2/c1-17-10-18(2)12-19(11-17)23-14-27(33)31-25-9-6-21(13-24(23)25)28(34,26-15-30-16-32(26)3)20-4-7-22(29)8-5-20/h4-16,34H,1-3H3,(H,31,33)
InChIKeyNAOAZDASKUEPNU-UHFFFAOYSA-N
MW469.97 g/mol
LogP5.48
Rot. Bonds4

About 6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3,5-dimethylphenyl)-1H-quinolin-2-one

6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3,5-dimethylphenyl)-1H-quinolin-2-one (PubChem CID 46237411) has the molecular formula C28H24ClN3O2 and a molecular weight of 469.97 g/mol. Its IUPAC name is 6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3,5-dimethylphenyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3,5-dimethylphenyl)-1H-quinolin-2-one
PubChem CID46237411
Molecular FormulaC28H24ClN3O2
Molecular Weight469.97 g/mol
Exact Mass469.16
IUPAC Name6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3,5-dimethylphenyl)-1H-quinolin-2-one
SMILESCc1cc(C)cc(-c2cc(=O)[nH]c3ccc(C(O)(c4ccc(Cl)cc4)c4cncn4C)cc23)c1
InChIInChI=1S/C28H24ClN3O2/c1-17-10-18(2)12-19(11-17)23-14-27(33)31-25-9-6-21(13-24(23)25)28(34,26-15-30-16-32(26)3)20-4-7-22(29)8-5-20/h4-16,34H,1-3H3,(H,31,33)
InChIKeyNAOAZDASKUEPNU-UHFFFAOYSA-N
XLogP5.48
TPSA70.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.97
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(2,6-dichlorophenyl)-1H-quinolin-2-one
CID 46237265
6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-[2-(trifluoromethyl)phenyl]-1H-quinolin-2-one
CID 46237008
4-(3-chlorophenyl)-6-[hydroxy-[4-[(Z)-hydroxyiminomethyl]phenyl]-(3-methylimidazol-4-yl)methyl]-1H-quinolin-2-one
CID 10206331
(4-chlorophenyl)-[4-(3,5-dimethylphenyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)methanol
CID 46236886
6-[amino-(3-methylimidazol-4-yl)-(4-methylphenyl)methyl]-4-(3-methylphenyl)-1H-quinolin-2-one;ethane
CID 143128762
6-[(R)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(2-methyl-4-pyridinyl)quinolin-2-one
CID 70942774
(4-chlorophenyl)-(3-methylimidazol-4-yl)-[5-(3-methylphenyl)tetrazolo[1,5-a]quinolin-7-yl]methanol
CID 23388873
4-(3-chlorophenyl)-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-methyl-1,8-naphthyridin-2-one
CID 59334692
6-[(R)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-methylquinolin-2-one;methane
CID 143910641
4-chloro-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]-1H-quinolin-2-one
CID 86715667
4-(3-chloro-2-methylphenyl)-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-methylquinolin-2-one
CID 25259058
6-[(R)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-methylquinolin-2-one;(2S,3S)-2,3-dihydroxybutanedioic acid
CID 51002534

Frequently Asked Questions

What is the IUPAC name of 6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3,5-dimethylphenyl)-1H-quinolin-2-one?
The IUPAC name of 6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3,5-dimethylphenyl)-1H-quinolin-2-one (CID 46237411) is 6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3,5-dimethylphenyl)-1H-quinolin-2-one.
What is the SMILES notation for 6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3,5-dimethylphenyl)-1H-quinolin-2-one?
The canonical SMILES for 6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3,5-dimethylphenyl)-1H-quinolin-2-one is Cc1cc(C)cc(-c2cc(=O)[nH]c3ccc(C(O)(c4ccc(Cl)cc4)c4cncn4C)cc23)c1.
What is the InChIKey of 6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3,5-dimethylphenyl)-1H-quinolin-2-one?
The InChIKey is NAOAZDASKUEPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24ClN3O2/c1-17-10-18(2)12-19(11-17)23-14-27(33)31-25-9-6-21(13-24(23)25)28(34,26-15-30-16-32(26)3)20-4-7-22(29)8-5-20/h4-16,34H,1-3H3,(H,31,33).
What are the key properties of 6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3,5-dimethylphenyl)-1H-quinolin-2-one?
6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3,5-dimethylphenyl)-1H-quinolin-2-one has a molecular weight of 469.97 g/mol, XLogP of 5.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3,5-dimethylphenyl)-1H-quinolin-2-one is sourced from PubChem (CID 46237411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).