4-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)cyclohexane-1-carboxylic acid

C18H18BrN3O3 — CID 122552647

IUPAC4-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)cyclohexane-1-carboxylic acid
SMILESCn1c(=O)n(C2CCC(C(=O)O)CC2)c2c3cc(Br)ccc3ncc21
InChIInChI=1S/C18H18BrN3O3/c1-21-15-9-20-14-7-4-11(19)8-13(14)16(15)22(18(21)25)12-5-2-10(3-6-12)17(23)24/h4,7-10,12H,2-3,5-6H2,1H3,(H,23,24)
InChIKeyIEBAVFKTBJOPGP-UHFFFAOYSA-N
MW404.26 g/mol
LogP3.47
Rot. Bonds2

About 4-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)cyclohexane-1-carboxylic acid

4-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)cyclohexane-1-carboxylic acid (PubChem CID 122552647) has the molecular formula C18H18BrN3O3 and a molecular weight of 404.26 g/mol. Its IUPAC name is 4-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)cyclohexane-1-carboxylic acid
PubChem CID122552647
Molecular FormulaC18H18BrN3O3
Molecular Weight404.26 g/mol
Exact Mass403.05
IUPAC Name4-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)cyclohexane-1-carboxylic acid
SMILESCn1c(=O)n(C2CCC(C(=O)O)CC2)c2c3cc(Br)ccc3ncc21
InChIInChI=1S/C18H18BrN3O3/c1-21-15-9-20-14-7-4-11(19)8-13(14)16(15)22(18(21)25)12-5-2-10(3-6-12)17(23)24/h4,7-10,12H,2-3,5-6H2,1H3,(H,23,24)
InChIKeyIEBAVFKTBJOPGP-UHFFFAOYSA-N
XLogP3.47
TPSA77.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.26
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)cyclohexyl]methyl N-methylcarbamate
CID 138470098
1-(4-hydroxycyclohexyl)-3-methyl-8-(1-phenylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one
CID 118101796
8-bromo-1-cyclopentyl-7-fluoro-3-methylimidazo[4,5-c]quinolin-2-one;methanol
CID 145305802
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
2-[4-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)phenyl]-N-cyclopropyl-2-methylpropanamide
CID 174687723
1-cyclobutyl-3-methyl-8-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one;2,2,2-trifluoroacetic acid
CID 118523405
8-bromo-1-(1,4-dimethylpyrazol-5-yl)-3-methylimidazo[4,5-c]quinolin-2-one
CID 59619976
tert-butyl (3S)-3-(8-bromo-3-ethyl-2-oxoimidazo[4,5-c]quinolin-1-yl)pyrrolidine-1-carboxylate
CID 144847127
8-bromo-7-fluoro-1-[(1S,3R)-3-methoxycyclopentyl]-3-methylimidazo[4,5-c]quinolin-2-one;8-bromo-7-fluoro-1-[(1R,3S)-3-methoxycyclopentyl]-3-methylimidazo[4,5-c]quinolin-2-one
CID 159491069
8-[6-[(Z)-1-amino-2-[amino(methyl)amino]ethenyl]-3-pyridinyl]-1-(4-hydroxycyclohexyl)-3-methylimidazo[4,5-c]quinolin-2-one
CID 144847191
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-chloro-1-methylpyrazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one
CID 59619725

Frequently Asked Questions

What is the IUPAC name of 4-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)cyclohexane-1-carboxylic acid (CID 122552647) is 4-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)cyclohexane-1-carboxylic acid is Cn1c(=O)n(C2CCC(C(=O)O)CC2)c2c3cc(Br)ccc3ncc21.
What is the InChIKey of 4-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)cyclohexane-1-carboxylic acid?
The InChIKey is IEBAVFKTBJOPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrN3O3/c1-21-15-9-20-14-7-4-11(19)8-13(14)16(15)22(18(21)25)12-5-2-10(3-6-12)17(23)24/h4,7-10,12H,2-3,5-6H2,1H3,(H,23,24).
What are the key properties of 4-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)cyclohexane-1-carboxylic acid?
4-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)cyclohexane-1-carboxylic acid has a molecular weight of 404.26 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122552647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).