4-[8-(4-chloro-3-hydroxyphenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-N-cyclopropyl-N-methylbenzamide

C28H23ClN4O3 — CID 134438161

IUPAC4-[8-(4-chloro-3-hydroxyphenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-N-cyclopropyl-N-methylbenzamide
SMILESCN(C(=O)c1ccc(-n2c(=O)n(C)c3cnc4ccc(-c5ccc(Cl)c(O)c5)cc4c32)cc1)C1CC1
InChIInChI=1S/C28H23ClN4O3/c1-31(19-9-10-19)27(35)16-3-7-20(8-4-16)33-26-21-13-17(18-5-11-22(29)25(34)14-18)6-12-23(21)30-15-24(26)32(2)28(33)36/h3-8,11-15,19,34H,9-10H2,1-2H3
InChIKeyHEOCQIIFEULNGT-UHFFFAOYSA-N
MW498.97 g/mol
LogP5.14
Rot. Bonds4

About 4-[8-(4-chloro-3-hydroxyphenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-N-cyclopropyl-N-methylbenzamide

4-[8-(4-chloro-3-hydroxyphenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-N-cyclopropyl-N-methylbenzamide (PubChem CID 134438161) has the molecular formula C28H23ClN4O3 and a molecular weight of 498.97 g/mol. Its IUPAC name is 4-[8-(4-chloro-3-hydroxyphenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-N-cyclopropyl-N-methylbenzamide.

Molecular Properties

Compound Name4-[8-(4-chloro-3-hydroxyphenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-N-cyclopropyl-N-methylbenzamide
PubChem CID134438161
Molecular FormulaC28H23ClN4O3
Molecular Weight498.97 g/mol
Exact Mass498.15
IUPAC Name4-[8-(4-chloro-3-hydroxyphenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-N-cyclopropyl-N-methylbenzamide
SMILESCN(C(=O)c1ccc(-n2c(=O)n(C)c3cnc4ccc(-c5ccc(Cl)c(O)c5)cc4c32)cc1)C1CC1
InChIInChI=1S/C28H23ClN4O3/c1-31(19-9-10-19)27(35)16-3-7-20(8-4-16)33-26-21-13-17(18-5-11-22(29)25(34)14-18)6-12-23(21)30-15-24(26)32(2)28(33)36/h3-8,11-15,19,34H,9-10H2,1-2H3
InChIKeyHEOCQIIFEULNGT-UHFFFAOYSA-N
XLogP5.14
TPSA80.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.97
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[8-(4-chloro-3-hydroxyphenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-N-cyclopropyl-N-methylbenzamide with MolForge

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Related Compounds

2-[[6-(3-Chloro-4-hydroxyphenyl)-3-(cyclopropanecarbonyl)quinolin-4-yl]amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 66715855
1-[4-[6-(3-Chloro-5-fluoro-4-hydroxyphenyl)-3-(cyclopropanecarbonyl)quinolin-4-yl]piperazin-1-yl]-2-(dimethylamino)ethanone
CID 66716165
[6-(3-Chloro-4-hydroxyphenyl)-4-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]quinolin-3-yl]-cyclopropylmethanone
CID 68298538
4-[6-(3-Chloro-5-fluoro-4-hydroxyphenyl)-3-(cyclopropanecarbonyl)quinolin-4-yl]-1-(2-pyrrolidin-1-ylethyl)piperazin-2-one
CID 68298795
1-[4-[6-(3-Chloro-4-hydroxyphenyl)-3-(cyclopropanecarbonyl)quinolin-4-yl]piperazin-1-yl]-2-(dimethylamino)ethanone
CID 89753753
1-[5-[6-(3-Chloro-5-fluoro-4-hydroxyphenyl)-3-(cyclopropanecarbonyl)quinolin-4-yl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-(dimethylamino)ethanone
CID 89758067
1-[5-[6-(3-Chloro-4-hydroxyphenyl)-3-(cyclopropanecarbonyl)quinolin-4-yl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-(dimethylamino)ethanone
CID 89758069
1-[(1S,4S)-5-[6-(3-chloro-5-fluoro-4-hydroxyphenyl)-3-(cyclopropanecarbonyl)quinolin-4-yl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-(dimethylamino)ethanone
CID 89753813
1-[6-(3-chloro-5-fluoro-4-hydroxyphenyl)-4-[[2-[3-(methylamino)pyrrolidin-1-yl]-3,4-dihydro-2H-pyridin-5-ylidene]amino]quinolin-3-yl]propan-1-one
CID 137068085
6-(2-chloro-3-hydroxyphenyl)-3-(3,5-difluorophenyl)-N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]quinoline-4-carboxamide
CID 137443321
6-(2-chloro-3-hydroxyphenyl)-3-(3-fluoro-5-methylphenyl)-N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]quinoline-4-carboxamide
CID 137443359
N-[2-[[[3-acetyl-6-(3-chloro-5-fluoro-4-hydroxyphenyl)quinolin-4-yl]amino]methyl-methylamino]ethyl]cyclohexanecarboxamide
CID 140615078

Frequently Asked Questions

What is the IUPAC name of 4-[8-(4-chloro-3-hydroxyphenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-N-cyclopropyl-N-methylbenzamide?
The IUPAC name of 4-[8-(4-chloro-3-hydroxyphenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-N-cyclopropyl-N-methylbenzamide (CID 134438161) is 4-[8-(4-chloro-3-hydroxyphenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-N-cyclopropyl-N-methylbenzamide.
What is the SMILES notation for 4-[8-(4-chloro-3-hydroxyphenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-N-cyclopropyl-N-methylbenzamide?
The canonical SMILES for 4-[8-(4-chloro-3-hydroxyphenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-N-cyclopropyl-N-methylbenzamide is CN(C(=O)c1ccc(-n2c(=O)n(C)c3cnc4ccc(-c5ccc(Cl)c(O)c5)cc4c32)cc1)C1CC1.
What is the InChIKey of 4-[8-(4-chloro-3-hydroxyphenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-N-cyclopropyl-N-methylbenzamide?
The InChIKey is HEOCQIIFEULNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23ClN4O3/c1-31(19-9-10-19)27(35)16-3-7-20(8-4-16)33-26-21-13-17(18-5-11-22(29)25(34)14-18)6-12-23(21)30-15-24(26)32(2)28(33)36/h3-8,11-15,19,34H,9-10H2,1-2H3.
What are the key properties of 4-[8-(4-chloro-3-hydroxyphenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-N-cyclopropyl-N-methylbenzamide?
4-[8-(4-chloro-3-hydroxyphenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-N-cyclopropyl-N-methylbenzamide has a molecular weight of 498.97 g/mol, XLogP of 5.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-(4-chloro-3-hydroxyphenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-N-cyclopropyl-N-methylbenzamide is sourced from PubChem (CID 134438161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).