8-bromo-2-butyl-N,1-bis[(2,4-dimethoxyphenyl)methyl]imidazo[4,5-c]quinolin-4-amine

C32H35BrN4O4 — CID 155141375

IUPAC8-bromo-2-butyl-N,1-bis[(2,4-dimethoxyphenyl)methyl]imidazo[4,5-c]quinolin-4-amine
SMILESCCCCc1nc2c(NCc3ccc(OC)cc3OC)nc3ccc(Br)cc3c2n1Cc1ccc(OC)cc1OC
InChIInChI=1S/C32H35BrN4O4/c1-6-7-8-29-36-30-31(37(29)19-21-10-13-24(39-3)17-28(21)41-5)25-15-22(33)11-14-26(25)35-32(30)34-18-20-9-12-23(38-2)16-27(20)40-4/h9-17H,6-8,18-19H2,1-5H3,(H,34,35)
InChIKeyQHLLUJAXEAAPDJ-UHFFFAOYSA-N
MW619.56 g/mol
LogP7.38
Rot. Bonds12

About 8-bromo-2-butyl-N,1-bis[(2,4-dimethoxyphenyl)methyl]imidazo[4,5-c]quinolin-4-amine

8-bromo-2-butyl-N,1-bis[(2,4-dimethoxyphenyl)methyl]imidazo[4,5-c]quinolin-4-amine (PubChem CID 155141375) has the molecular formula C32H35BrN4O4 and a molecular weight of 619.56 g/mol. Its IUPAC name is 8-bromo-2-butyl-N,1-bis[(2,4-dimethoxyphenyl)methyl]imidazo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound Name8-bromo-2-butyl-N,1-bis[(2,4-dimethoxyphenyl)methyl]imidazo[4,5-c]quinolin-4-amine
PubChem CID155141375
Molecular FormulaC32H35BrN4O4
Molecular Weight619.56 g/mol
Exact Mass618.18
IUPAC Name8-bromo-2-butyl-N,1-bis[(2,4-dimethoxyphenyl)methyl]imidazo[4,5-c]quinolin-4-amine
SMILESCCCCc1nc2c(NCc3ccc(OC)cc3OC)nc3ccc(Br)cc3c2n1Cc1ccc(OC)cc1OC
InChIInChI=1S/C32H35BrN4O4/c1-6-7-8-29-36-30-31(37(29)19-21-10-13-24(39-3)17-28(21)41-5)25-15-22(33)11-14-26(25)35-32(30)34-18-20-9-12-23(38-2)16-27(20)40-4/h9-17H,6-8,18-19H2,1-5H3,(H,34,35)
InChIKeyQHLLUJAXEAAPDJ-UHFFFAOYSA-N
XLogP7.38
TPSA79.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.56
LogP ≤ 57.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 8-bromo-2-butyl-N,1-bis[(2,4-dimethoxyphenyl)methyl]imidazo[4,5-c]quinolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-butyl-N,1-bis[(2,4-dimethoxyphenyl)methyl]imidazo[4,5-c]quinolin-4-amine?
The IUPAC name of 8-bromo-2-butyl-N,1-bis[(2,4-dimethoxyphenyl)methyl]imidazo[4,5-c]quinolin-4-amine (CID 155141375) is 8-bromo-2-butyl-N,1-bis[(2,4-dimethoxyphenyl)methyl]imidazo[4,5-c]quinolin-4-amine.
What is the SMILES notation for 8-bromo-2-butyl-N,1-bis[(2,4-dimethoxyphenyl)methyl]imidazo[4,5-c]quinolin-4-amine?
The canonical SMILES for 8-bromo-2-butyl-N,1-bis[(2,4-dimethoxyphenyl)methyl]imidazo[4,5-c]quinolin-4-amine is CCCCc1nc2c(NCc3ccc(OC)cc3OC)nc3ccc(Br)cc3c2n1Cc1ccc(OC)cc1OC.
What is the InChIKey of 8-bromo-2-butyl-N,1-bis[(2,4-dimethoxyphenyl)methyl]imidazo[4,5-c]quinolin-4-amine?
The InChIKey is QHLLUJAXEAAPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35BrN4O4/c1-6-7-8-29-36-30-31(37(29)19-21-10-13-24(39-3)17-28(21)41-5)25-15-22(33)11-14-26(25)35-32(30)34-18-20-9-12-23(38-2)16-27(20)40-4/h9-17H,6-8,18-19H2,1-5H3,(H,34,35).
What are the key properties of 8-bromo-2-butyl-N,1-bis[(2,4-dimethoxyphenyl)methyl]imidazo[4,5-c]quinolin-4-amine?
8-bromo-2-butyl-N,1-bis[(2,4-dimethoxyphenyl)methyl]imidazo[4,5-c]quinolin-4-amine has a molecular weight of 619.56 g/mol, XLogP of 7.38, 12 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2-butyl-N,1-bis[(2,4-dimethoxyphenyl)methyl]imidazo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 155141375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).