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

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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).