2-butyl-7-(2,4-dimethoxyphenyl)-1-(2-methylbutyl)imidazo[4,5-c]quinolin-4-amine

C27H34N4O2 — CID 142916164

IUPAC2-butyl-7-(2,4-dimethoxyphenyl)-1-(2-methylbutyl)imidazo[4,5-c]quinolin-4-amine
SMILESCCCCc1nc2c(N)nc3cc(-c4ccc(OC)cc4OC)ccc3c2n1CC(C)CC
InChIInChI=1S/C27H34N4O2/c1-6-8-9-24-30-25-26(31(24)16-17(3)7-2)21-12-10-18(14-22(21)29-27(25)28)20-13-11-19(32-4)15-23(20)33-5/h10-15,17H,6-9,16H2,1-5H3,(H2,28,29)
InChIKeyNWUXUHQFAWFTDU-UHFFFAOYSA-N
MW446.60 g/mol
LogP6.24
Rot. Bonds9

About 2-butyl-7-(2,4-dimethoxyphenyl)-1-(2-methylbutyl)imidazo[4,5-c]quinolin-4-amine

2-butyl-7-(2,4-dimethoxyphenyl)-1-(2-methylbutyl)imidazo[4,5-c]quinolin-4-amine (PubChem CID 142916164) has the molecular formula C27H34N4O2 and a molecular weight of 446.60 g/mol. Its IUPAC name is 2-butyl-7-(2,4-dimethoxyphenyl)-1-(2-methylbutyl)imidazo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound Name2-butyl-7-(2,4-dimethoxyphenyl)-1-(2-methylbutyl)imidazo[4,5-c]quinolin-4-amine
PubChem CID142916164
Molecular FormulaC27H34N4O2
Molecular Weight446.60 g/mol
Exact Mass446.27
IUPAC Name2-butyl-7-(2,4-dimethoxyphenyl)-1-(2-methylbutyl)imidazo[4,5-c]quinolin-4-amine
SMILESCCCCc1nc2c(N)nc3cc(-c4ccc(OC)cc4OC)ccc3c2n1CC(C)CC
InChIInChI=1S/C27H34N4O2/c1-6-8-9-24-30-25-26(31(24)16-17(3)7-2)21-12-10-18(14-22(21)29-27(25)28)20-13-11-19(32-4)15-23(20)33-5/h10-15,17H,6-9,16H2,1-5H3,(H2,28,29)
InChIKeyNWUXUHQFAWFTDU-UHFFFAOYSA-N
XLogP6.24
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.60
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-butyl-7-(2,4-dimethoxyphenyl)-1-(2-methylbutyl)imidazo[4,5-c]quinolin-4-amine with MolForge

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Related Compounds

7-[(3,4,5-Trimethoxyphenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine
CID 456183
2-(1H-indol-6-yl)-4-(3,4,5-trimethoxyphenyl)-1H-imidazo[4,5-c]pyridine
CID 122195228
7-[2-(4-Methoxyphenyl)-5,6-dimethylbenzimidazol-1-yl]quinazoline-2,4-diamine
CID 76336478
N6-[(2,4-dimethoxyphenyl)methyl]-N6-methyl-quinazoline-2,4,6-triamine
CID 462129
3-[8-Amino-1-(2-methoxy-4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol
CID 44539192
3-Cyclobutyl-1-(2-ethoxy-4-phenoxyphenyl)imidazo[1,5-a]pyrazin-8-amine
CID 57960806
3-Cyclobutyl-1-(2-methoxy-4-phenoxyphenyl)imidazo[1,5-a]pyrazin-8-amine
CID 57961010
2-Butyl-7-methoxy-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine
CID 155213751
1-(4-Amino-2-butyl-7-methoxyimidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol
CID 155222098
Indazole-benzimidazole, 6
CID 135928474
Tubulin inhibitor 33
CID 168475901
N6-[(2,4-dimethoxyphenyl)methyl]quinazoline-2,4,6-triamine
CID 462121

Frequently Asked Questions

What is the IUPAC name of 2-butyl-7-(2,4-dimethoxyphenyl)-1-(2-methylbutyl)imidazo[4,5-c]quinolin-4-amine?
The IUPAC name of 2-butyl-7-(2,4-dimethoxyphenyl)-1-(2-methylbutyl)imidazo[4,5-c]quinolin-4-amine (CID 142916164) is 2-butyl-7-(2,4-dimethoxyphenyl)-1-(2-methylbutyl)imidazo[4,5-c]quinolin-4-amine.
What is the SMILES notation for 2-butyl-7-(2,4-dimethoxyphenyl)-1-(2-methylbutyl)imidazo[4,5-c]quinolin-4-amine?
The canonical SMILES for 2-butyl-7-(2,4-dimethoxyphenyl)-1-(2-methylbutyl)imidazo[4,5-c]quinolin-4-amine is CCCCc1nc2c(N)nc3cc(-c4ccc(OC)cc4OC)ccc3c2n1CC(C)CC.
What is the InChIKey of 2-butyl-7-(2,4-dimethoxyphenyl)-1-(2-methylbutyl)imidazo[4,5-c]quinolin-4-amine?
The InChIKey is NWUXUHQFAWFTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O2/c1-6-8-9-24-30-25-26(31(24)16-17(3)7-2)21-12-10-18(14-22(21)29-27(25)28)20-13-11-19(32-4)15-23(20)33-5/h10-15,17H,6-9,16H2,1-5H3,(H2,28,29).
What are the key properties of 2-butyl-7-(2,4-dimethoxyphenyl)-1-(2-methylbutyl)imidazo[4,5-c]quinolin-4-amine?
2-butyl-7-(2,4-dimethoxyphenyl)-1-(2-methylbutyl)imidazo[4,5-c]quinolin-4-amine has a molecular weight of 446.60 g/mol, XLogP of 6.24, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-7-(2,4-dimethoxyphenyl)-1-(2-methylbutyl)imidazo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 142916164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).