4-(3-chlorophenyl)-6-[hydroxy-[4-[(Z)-hydroxyiminomethyl]phenyl]-(3-methylimidazol-4-yl)methyl]-1H-quinolin-2-one

C27H21ClN4O3 — CID 10206331

IUPAC4-(3-chlorophenyl)-6-[hydroxy-[4-[(Z)-hydroxyiminomethyl]phenyl]-(3-methylimidazol-4-yl)methyl]-1H-quinolin-2-one
SMILESCn1cncc1C(O)(c1ccc(/C=N\O)cc1)c1ccc2[nH]c(=O)cc(-c3cccc(Cl)c3)c2c1
InChIInChI=1S/C27H21ClN4O3/c1-32-16-29-15-25(32)27(34,19-7-5-17(6-8-19)14-30-35)20-9-10-24-23(12-20)22(13-26(33)31-24)18-3-2-4-21(28)11-18/h2-16,34-35H,1H3,(H,31,33)/b30-14-
InChIKeyURFBMKWUTKMMPO-CPDSRJINSA-N
MW484.94 g/mol
LogP4.67
Rot. Bonds5

About 4-(3-chlorophenyl)-6-[hydroxy-[4-[(Z)-hydroxyiminomethyl]phenyl]-(3-methylimidazol-4-yl)methyl]-1H-quinolin-2-one

4-(3-chlorophenyl)-6-[hydroxy-[4-[(Z)-hydroxyiminomethyl]phenyl]-(3-methylimidazol-4-yl)methyl]-1H-quinolin-2-one (PubChem CID 10206331) has the molecular formula C27H21ClN4O3 and a molecular weight of 484.94 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-6-[hydroxy-[4-[(Z)-hydroxyiminomethyl]phenyl]-(3-methylimidazol-4-yl)methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name4-(3-chlorophenyl)-6-[hydroxy-[4-[(Z)-hydroxyiminomethyl]phenyl]-(3-methylimidazol-4-yl)methyl]-1H-quinolin-2-one
PubChem CID10206331
Molecular FormulaC27H21ClN4O3
Molecular Weight484.94 g/mol
Exact Mass484.13
IUPAC Name4-(3-chlorophenyl)-6-[hydroxy-[4-[(Z)-hydroxyiminomethyl]phenyl]-(3-methylimidazol-4-yl)methyl]-1H-quinolin-2-one
SMILESCn1cncc1C(O)(c1ccc(/C=N\O)cc1)c1ccc2[nH]c(=O)cc(-c3cccc(Cl)c3)c2c1
InChIInChI=1S/C27H21ClN4O3/c1-32-16-29-15-25(32)27(34,19-7-5-17(6-8-19)14-30-35)20-9-10-24-23(12-20)22(13-26(33)31-24)18-3-2-4-21(28)11-18/h2-16,34-35H,1H3,(H,31,33)/b30-14-
InChIKeyURFBMKWUTKMMPO-CPDSRJINSA-N
XLogP4.67
TPSA103.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.94
LogP ≤ 54.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3,5-dimethylphenyl)-1H-quinolin-2-one
CID 46237411
6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(2,6-dichlorophenyl)-1H-quinolin-2-one
CID 46237265
4-(3-chlorophenyl)-6-[hydroxy-[4-[(E)-methoxyiminomethyl]phenyl]-(3-methylimidazol-4-yl)methyl]-1-methylquinolin-2-one
CID 21082006
6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-[2-(trifluoromethyl)phenyl]-1H-quinolin-2-one
CID 46237008
4-(3-chlorophenyl)-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-methyl-1,8-naphthyridin-2-one
CID 59334692
1-(4-chlorophenyl)-3-[4-(3-chlorophenyl)-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]quinolin-2-yl]urea
CID 23577728
4-(3-chlorophenyl)-6-[(R)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-1,8-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-methyl-1,8-naphthyridin-2-one
CID 159184749
N-[4-(3-chlorophenyl)-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]quinolin-2-yl]furan-3-carboxamide
CID 23577815
4-[[4-(3-chlorophenyl)-1-methyl-2-oxoquinolin-6-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]-N-prop-2-ynylbenzamide
CID 58799322
6-[amino-(3-methylimidazol-4-yl)-(4-methylphenyl)methyl]-4-(3-methylphenyl)-1H-quinolin-2-one;ethane
CID 143128762
[4-(3-chlorophenyl)-2-methoxyquinolin-6-yl]-bis(3-methylimidazol-4-yl)methanol
CID 22048468
4-(3-chlorophenyl)-6-[hydroxy-[4-[(2-hydroxyethylamino)methyl]phenyl]-(3-methylimidazol-4-yl)methyl]-1-methylquinolin-2-one
CID 58799365

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-6-[hydroxy-[4-[(Z)-hydroxyiminomethyl]phenyl]-(3-methylimidazol-4-yl)methyl]-1H-quinolin-2-one?
The IUPAC name of 4-(3-chlorophenyl)-6-[hydroxy-[4-[(Z)-hydroxyiminomethyl]phenyl]-(3-methylimidazol-4-yl)methyl]-1H-quinolin-2-one (CID 10206331) is 4-(3-chlorophenyl)-6-[hydroxy-[4-[(Z)-hydroxyiminomethyl]phenyl]-(3-methylimidazol-4-yl)methyl]-1H-quinolin-2-one.
What is the SMILES notation for 4-(3-chlorophenyl)-6-[hydroxy-[4-[(Z)-hydroxyiminomethyl]phenyl]-(3-methylimidazol-4-yl)methyl]-1H-quinolin-2-one?
The canonical SMILES for 4-(3-chlorophenyl)-6-[hydroxy-[4-[(Z)-hydroxyiminomethyl]phenyl]-(3-methylimidazol-4-yl)methyl]-1H-quinolin-2-one is Cn1cncc1C(O)(c1ccc(/C=N\O)cc1)c1ccc2[nH]c(=O)cc(-c3cccc(Cl)c3)c2c1.
What is the InChIKey of 4-(3-chlorophenyl)-6-[hydroxy-[4-[(Z)-hydroxyiminomethyl]phenyl]-(3-methylimidazol-4-yl)methyl]-1H-quinolin-2-one?
The InChIKey is URFBMKWUTKMMPO-CPDSRJINSA-N. The full InChI is InChI=1S/C27H21ClN4O3/c1-32-16-29-15-25(32)27(34,19-7-5-17(6-8-19)14-30-35)20-9-10-24-23(12-20)22(13-26(33)31-24)18-3-2-4-21(28)11-18/h2-16,34-35H,1H3,(H,31,33)/b30-14-.
What are the key properties of 4-(3-chlorophenyl)-6-[hydroxy-[4-[(Z)-hydroxyiminomethyl]phenyl]-(3-methylimidazol-4-yl)methyl]-1H-quinolin-2-one?
4-(3-chlorophenyl)-6-[hydroxy-[4-[(Z)-hydroxyiminomethyl]phenyl]-(3-methylimidazol-4-yl)methyl]-1H-quinolin-2-one has a molecular weight of 484.94 g/mol, XLogP of 4.67, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-6-[hydroxy-[4-[(Z)-hydroxyiminomethyl]phenyl]-(3-methylimidazol-4-yl)methyl]-1H-quinolin-2-one is sourced from PubChem (CID 10206331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).