N-butyl-4-[[4-(3-chlorophenyl)-1-methyl-2-oxoquinolin-6-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]benzamide

C32H31ClN4O3 — CID 58799316

IUPACN-butyl-4-[[4-(3-chlorophenyl)-1-methyl-2-oxoquinolin-6-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]benzamide
SMILESCCCCNC(=O)c1ccc(C(O)(c2ccc3c(c2)c(-c2cccc(Cl)c2)cc(=O)n3C)c2cncn2C)cc1
InChIInChI=1S/C32H31ClN4O3/c1-4-5-15-35-31(39)21-9-11-23(12-10-21)32(40,29-19-34-20-36(29)2)24-13-14-28-27(17-24)26(18-30(38)37(28)3)22-7-6-8-25(33)16-22/h6-14,16-20,40H,4-5,15H2,1-3H3,(H,35,39)
InChIKeyZRVKVZCDDZOFDX-UHFFFAOYSA-N
MW555.08 g/mol
LogP5.41
Rot. Bonds8

About N-butyl-4-[[4-(3-chlorophenyl)-1-methyl-2-oxoquinolin-6-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]benzamide

N-butyl-4-[[4-(3-chlorophenyl)-1-methyl-2-oxoquinolin-6-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]benzamide (PubChem CID 58799316) has the molecular formula C32H31ClN4O3 and a molecular weight of 555.08 g/mol. Its IUPAC name is N-butyl-4-[[4-(3-chlorophenyl)-1-methyl-2-oxoquinolin-6-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]benzamide.

Molecular Properties

Compound NameN-butyl-4-[[4-(3-chlorophenyl)-1-methyl-2-oxoquinolin-6-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]benzamide
PubChem CID58799316
Molecular FormulaC32H31ClN4O3
Molecular Weight555.08 g/mol
Exact Mass554.21
IUPAC NameN-butyl-4-[[4-(3-chlorophenyl)-1-methyl-2-oxoquinolin-6-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]benzamide
SMILESCCCCNC(=O)c1ccc(C(O)(c2ccc3c(c2)c(-c2cccc(Cl)c2)cc(=O)n3C)c2cncn2C)cc1
InChIInChI=1S/C32H31ClN4O3/c1-4-5-15-35-31(39)21-9-11-23(12-10-21)32(40,29-19-34-20-36(29)2)24-13-14-28-27(17-24)26(18-30(38)37(28)3)22-7-6-8-25(33)16-22/h6-14,16-20,40H,4-5,15H2,1-3H3,(H,35,39)
InChIKeyZRVKVZCDDZOFDX-UHFFFAOYSA-N
XLogP5.41
TPSA89.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.08
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-butyl-4-[[4-(3-chlorophenyl)-1-methyl-2-oxoquinolin-6-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[4-(3-chlorophenyl)-1-methyl-2-oxoquinolin-6-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]-N-prop-2-ynylbenzamide
CID 58799322
4-(3-chlorophenyl)-6-[hydroxy-[4-[(E)-methoxyiminomethyl]phenyl]-(3-methylimidazol-4-yl)methyl]-1-methylquinolin-2-one
CID 21082006
4-(3-chlorophenyl)-6-[(3-chlorothiophen-2-yl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-methylquinolin-2-one
CID 22465424
6-[(R)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-methylquinolin-2-one;methane
CID 143910641
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;(2S,3S)-2,3-dihydroxybutanedioic acid
CID 51002534
6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-methylquinolin-2-one;(2R,3R)-2,3-dihydroxybutanedioic acid
CID 56843795
6-[(R)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(2-methyl-4-pyridinyl)quinolin-2-one
CID 70942774
6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one;hydrochloride
CID 168994781
4-(3-chloro-2-methylphenyl)-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-methylquinolin-2-one
CID 25259058
6-[hydroxy-(3-methylimidazol-4-yl)-[4-[(2-phenylethylamino)methyl]phenyl]methyl]-1-methyl-4-(3-methylphenyl)quinolin-2-one
CID 142129164
4-[[4-(3-chlorophenyl)-1-methyl-2-oxoquinolin-6-yl]-hydroxy-(1-methylimidazol-2-yl)methyl]-N-pyridin-3-ylbenzamide
CID 90908639

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-[[4-(3-chlorophenyl)-1-methyl-2-oxoquinolin-6-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]benzamide?
The IUPAC name of N-butyl-4-[[4-(3-chlorophenyl)-1-methyl-2-oxoquinolin-6-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]benzamide (CID 58799316) is N-butyl-4-[[4-(3-chlorophenyl)-1-methyl-2-oxoquinolin-6-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]benzamide.
What is the SMILES notation for N-butyl-4-[[4-(3-chlorophenyl)-1-methyl-2-oxoquinolin-6-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]benzamide?
The canonical SMILES for N-butyl-4-[[4-(3-chlorophenyl)-1-methyl-2-oxoquinolin-6-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]benzamide is CCCCNC(=O)c1ccc(C(O)(c2ccc3c(c2)c(-c2cccc(Cl)c2)cc(=O)n3C)c2cncn2C)cc1.
What is the InChIKey of N-butyl-4-[[4-(3-chlorophenyl)-1-methyl-2-oxoquinolin-6-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]benzamide?
The InChIKey is ZRVKVZCDDZOFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31ClN4O3/c1-4-5-15-35-31(39)21-9-11-23(12-10-21)32(40,29-19-34-20-36(29)2)24-13-14-28-27(17-24)26(18-30(38)37(28)3)22-7-6-8-25(33)16-22/h6-14,16-20,40H,4-5,15H2,1-3H3,(H,35,39).
What are the key properties of N-butyl-4-[[4-(3-chlorophenyl)-1-methyl-2-oxoquinolin-6-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]benzamide?
N-butyl-4-[[4-(3-chlorophenyl)-1-methyl-2-oxoquinolin-6-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]benzamide has a molecular weight of 555.08 g/mol, XLogP of 5.41, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-[[4-(3-chlorophenyl)-1-methyl-2-oxoquinolin-6-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]benzamide is sourced from PubChem (CID 58799316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).