[4-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)cyclohexyl]methyl N-methylcarbamate

C20H23BrN4O3 — CID 138470098

IUPAC[4-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)cyclohexyl]methyl N-methylcarbamate
SMILESCNC(=O)OCC1CCC(n2c(=O)n(C)c3cnc4ccc(Br)cc4c32)CC1
InChIInChI=1S/C20H23BrN4O3/c1-22-19(26)28-11-12-3-6-14(7-4-12)25-18-15-9-13(21)5-8-16(15)23-10-17(18)24(2)20(25)27/h5,8-10,12,14H,3-4,6-7,11H2,1-2H3,(H,22,26)
InChIKeyVDSHRICWFIRFCK-UHFFFAOYSA-N
MW447.33 g/mol
LogP3.74
Rot. Bonds3

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

[4-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)cyclohexyl]methyl N-methylcarbamate (PubChem CID 138470098) has the molecular formula C20H23BrN4O3 and a molecular weight of 447.33 g/mol. Its IUPAC name is [4-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)cyclohexyl]methyl N-methylcarbamate.

Molecular Properties

Compound Name[4-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)cyclohexyl]methyl N-methylcarbamate
PubChem CID138470098
Molecular FormulaC20H23BrN4O3
Molecular Weight447.33 g/mol
Exact Mass446.10
IUPAC Name[4-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)cyclohexyl]methyl N-methylcarbamate
SMILESCNC(=O)OCC1CCC(n2c(=O)n(C)c3cnc4ccc(Br)cc4c32)CC1
InChIInChI=1S/C20H23BrN4O3/c1-22-19(26)28-11-12-3-6-14(7-4-12)25-18-15-9-13(21)5-8-16(15)23-10-17(18)24(2)20(25)27/h5,8-10,12,14H,3-4,6-7,11H2,1-2H3,(H,22,26)
InChIKeyVDSHRICWFIRFCK-UHFFFAOYSA-N
XLogP3.74
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.33
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)cyclohexyl]methyl N-methylcarbamate with MolForge

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Related Compounds

4-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)cyclohexane-1-carboxylic acid
CID 122552647
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
8-bromo-1-cyclopentyl-7-fluoro-3-methylimidazo[4,5-c]quinolin-2-one;methanol
CID 145305802
2-[4-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)phenyl]-N-cyclopropyl-2-methylpropanamide
CID 174687723
tert-butyl (3S)-3-(8-bromo-3-ethyl-2-oxoimidazo[4,5-c]quinolin-1-yl)pyrrolidine-1-carboxylate
CID 144847127
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
[4-(5-bromo-6-methoxyindazol-2-yl)cyclohexyl]methyl N-methylcarbamate
CID 170227743
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
1-(4-hydroxycyclohexyl)-3-methyl-8-(1-phenylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one
CID 118101796
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-bromo-1-(1,4-dimethylpyrazol-5-yl)-3-methylimidazo[4,5-c]quinolin-2-one
CID 59619976

Frequently Asked Questions

What is the IUPAC name of [4-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)cyclohexyl]methyl N-methylcarbamate?
The IUPAC name of [4-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)cyclohexyl]methyl N-methylcarbamate (CID 138470098) is [4-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)cyclohexyl]methyl N-methylcarbamate.
What is the SMILES notation for [4-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)cyclohexyl]methyl N-methylcarbamate?
The canonical SMILES for [4-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)cyclohexyl]methyl N-methylcarbamate is CNC(=O)OCC1CCC(n2c(=O)n(C)c3cnc4ccc(Br)cc4c32)CC1.
What is the InChIKey of [4-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)cyclohexyl]methyl N-methylcarbamate?
The InChIKey is VDSHRICWFIRFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN4O3/c1-22-19(26)28-11-12-3-6-14(7-4-12)25-18-15-9-13(21)5-8-16(15)23-10-17(18)24(2)20(25)27/h5,8-10,12,14H,3-4,6-7,11H2,1-2H3,(H,22,26).
What are the key properties of [4-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)cyclohexyl]methyl N-methylcarbamate?
[4-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)cyclohexyl]methyl N-methylcarbamate has a molecular weight of 447.33 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 6 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)cyclohexyl]methyl N-methylcarbamate is sourced from PubChem (CID 138470098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).