2-[4-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)phenyl]-N-cyclopropyl-2-methylpropanamide

C24H23BrN4O2 — CID 174687723

IUPAC2-[4-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)phenyl]-N-cyclopropyl-2-methylpropanamide
SMILESCn1c(=O)n(-c2ccc(C(C)(C)C(=O)NC3CC3)cc2)c2c3cc(Br)ccc3ncc21
InChIInChI=1S/C24H23BrN4O2/c1-24(2,22(30)27-16-7-8-16)14-4-9-17(10-5-14)29-21-18-12-15(25)6-11-19(18)26-13-20(21)28(3)23(29)31/h4-6,9-13,16H,7-8H2,1-3H3,(H,27,30)
InChIKeyOVESGBRJXUOMGC-UHFFFAOYSA-N
MW479.38 g/mol
LogP4.20
Rot. Bonds4

About 2-[4-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)phenyl]-N-cyclopropyl-2-methylpropanamide

2-[4-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)phenyl]-N-cyclopropyl-2-methylpropanamide (PubChem CID 174687723) has the molecular formula C24H23BrN4O2 and a molecular weight of 479.38 g/mol. Its IUPAC name is 2-[4-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)phenyl]-N-cyclopropyl-2-methylpropanamide.

Molecular Properties

Compound Name2-[4-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)phenyl]-N-cyclopropyl-2-methylpropanamide
PubChem CID174687723
Molecular FormulaC24H23BrN4O2
Molecular Weight479.38 g/mol
Exact Mass478.10
IUPAC Name2-[4-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)phenyl]-N-cyclopropyl-2-methylpropanamide
SMILESCn1c(=O)n(-c2ccc(C(C)(C)C(=O)NC3CC3)cc2)c2c3cc(Br)ccc3ncc21
InChIInChI=1S/C24H23BrN4O2/c1-24(2,22(30)27-16-7-8-16)14-4-9-17(10-5-14)29-21-18-12-15(25)6-11-19(18)26-13-20(21)28(3)23(29)31/h4-6,9-13,16H,7-8H2,1-3H3,(H,27,30)
InChIKeyOVESGBRJXUOMGC-UHFFFAOYSA-N
XLogP4.20
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.38
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-bromo-1-(4-butan-2-ylphenyl)-3-methylimidazo[4,5-c]quinolin-2-one
CID 144631239
2-(4-bromophenyl)-N-(4-hydroxycyclohexyl)-2-methylpropanamide
CID 110893819
4-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)cyclohexane-1-carboxylic acid
CID 122552647
8-bromo-1-(1,4-dimethylpyrazol-5-yl)-3-methylimidazo[4,5-c]quinolin-2-one
CID 59619976
8-bromo-1-(3-chloro-1-methylpyrazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one
CID 59619725
benzyl 3-[4-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)phenyl]-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate
CID 90182461
8-bromo-1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one
CID 59620040
tert-butyl (3R)-3-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)pyrrolidine-1-carboxylate;tert-butyl (3R)-3-(8-bromo-2-oxo-3H-imidazo[4,5-c]quinolin-1-yl)pyrrolidine-1-carboxylate;methane
CID 162087529
[4-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)cyclohexyl]methyl N-methylcarbamate
CID 138470098
2-[4-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)-3,5-dimethylpyrazol-1-yl]-N,N-dimethylacetamide
CID 59619780
tert-butyl (3S)-3-(8-bromo-3-ethyl-2-oxoimidazo[4,5-c]quinolin-1-yl)pyrrolidine-1-carboxylate
CID 144847127
(E)-N-[5-[1-[4-(2-cyanopropan-2-yl)phenyl]-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]but-2-enamide
CID 71554548

Frequently Asked Questions

What is the IUPAC name of 2-[4-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)phenyl]-N-cyclopropyl-2-methylpropanamide?
The IUPAC name of 2-[4-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)phenyl]-N-cyclopropyl-2-methylpropanamide (CID 174687723) is 2-[4-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)phenyl]-N-cyclopropyl-2-methylpropanamide.
What is the SMILES notation for 2-[4-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)phenyl]-N-cyclopropyl-2-methylpropanamide?
The canonical SMILES for 2-[4-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)phenyl]-N-cyclopropyl-2-methylpropanamide is Cn1c(=O)n(-c2ccc(C(C)(C)C(=O)NC3CC3)cc2)c2c3cc(Br)ccc3ncc21.
What is the InChIKey of 2-[4-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)phenyl]-N-cyclopropyl-2-methylpropanamide?
The InChIKey is OVESGBRJXUOMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23BrN4O2/c1-24(2,22(30)27-16-7-8-16)14-4-9-17(10-5-14)29-21-18-12-15(25)6-11-19(18)26-13-20(21)28(3)23(29)31/h4-6,9-13,16H,7-8H2,1-3H3,(H,27,30).
What are the key properties of 2-[4-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)phenyl]-N-cyclopropyl-2-methylpropanamide?
2-[4-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)phenyl]-N-cyclopropyl-2-methylpropanamide has a molecular weight of 479.38 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)phenyl]-N-cyclopropyl-2-methylpropanamide is sourced from PubChem (CID 174687723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).