[4-[[8-bromo-2-butyl-4-[(2,4-dimethoxyphenyl)methylamino]imidazo[4,5-c]quinolin-1-yl]methyl]-3-methoxyphenyl]methanol

C32H35BrN4O4 — CID 164820876

IUPAC[4-[[8-bromo-2-butyl-4-[(2,4-dimethoxyphenyl)methylamino]imidazo[4,5-c]quinolin-1-yl]methyl]-3-methoxyphenyl]methanol
SMILESCCCCc1nc2c(NCc3ccc(OC)cc3OC)nc3ccc(Br)cc3c2n1Cc1ccc(CO)cc1OC
InChIInChI=1S/C32H35BrN4O4/c1-5-6-7-29-36-30-31(37(29)18-22-9-8-20(19-38)14-27(22)40-3)25-15-23(33)11-13-26(25)35-32(30)34-17-21-10-12-24(39-2)16-28(21)41-4/h8-16,38H,5-7,17-19H2,1-4H3,(H,34,35)
InChIKeyDFGHDPYKWHBATI-UHFFFAOYSA-N
MW619.56 g/mol
LogP6.87
Rot. Bonds12

About [4-[[8-bromo-2-butyl-4-[(2,4-dimethoxyphenyl)methylamino]imidazo[4,5-c]quinolin-1-yl]methyl]-3-methoxyphenyl]methanol

[4-[[8-bromo-2-butyl-4-[(2,4-dimethoxyphenyl)methylamino]imidazo[4,5-c]quinolin-1-yl]methyl]-3-methoxyphenyl]methanol (PubChem CID 164820876) has the molecular formula C32H35BrN4O4 and a molecular weight of 619.56 g/mol. Its IUPAC name is [4-[[8-bromo-2-butyl-4-[(2,4-dimethoxyphenyl)methylamino]imidazo[4,5-c]quinolin-1-yl]methyl]-3-methoxyphenyl]methanol.

Molecular Properties

Compound Name[4-[[8-bromo-2-butyl-4-[(2,4-dimethoxyphenyl)methylamino]imidazo[4,5-c]quinolin-1-yl]methyl]-3-methoxyphenyl]methanol
PubChem CID164820876
Molecular FormulaC32H35BrN4O4
Molecular Weight619.56 g/mol
Exact Mass618.18
IUPAC Name[4-[[8-bromo-2-butyl-4-[(2,4-dimethoxyphenyl)methylamino]imidazo[4,5-c]quinolin-1-yl]methyl]-3-methoxyphenyl]methanol
SMILESCCCCc1nc2c(NCc3ccc(OC)cc3OC)nc3ccc(Br)cc3c2n1Cc1ccc(CO)cc1OC
InChIInChI=1S/C32H35BrN4O4/c1-5-6-7-29-36-30-31(37(29)18-22-9-8-20(19-38)14-27(22)40-3)25-15-23(33)11-13-26(25)35-32(30)34-17-21-10-12-24(39-2)16-28(21)41-4/h8-16,38H,5-7,17-19H2,1-4H3,(H,34,35)
InChIKeyDFGHDPYKWHBATI-UHFFFAOYSA-N
XLogP6.87
TPSA90.66 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.56
LogP ≤ 56.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [4-[[8-bromo-2-butyl-4-[(2,4-dimethoxyphenyl)methylamino]imidazo[4,5-c]quinolin-1-yl]methyl]-3-methoxyphenyl]methanol with MolForge

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

Launch Full Analysis

Related Compounds

3-[[5-[(2,4-Dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]phenol
CID 138689466
2-butyl-7-(2,4-dimethoxyphenyl)-1-isobutyl-1H-imidazo[4,5-c]quinolin-4-amine
CID 21984169
Tert-butyl 4-[2-[2-butyl-4-[(2,4-dimethoxyphenyl)methylamino]imidazo[4,5-c]quinolin-1-yl]ethyl]piperazine-1-carboxylate
CID 138457291
tert-butyl N-[4-[2-butyl-4-[(2,4-dimethoxyphenyl)methylamino]imidazo[4,5-c]quinolin-1-yl]butyl]-N-methylcarbamate
CID 138457293
tert-butyl N-[4-[2-butyl-4-[(2,4-dimethoxyphenyl)methylamino]imidazo[4,5-c]quinolin-1-yl]butyl]carbamate
CID 138457295
[5-[(2,4-Dimethoxyphenyl)methylamino]-7-methoxyimidazo[1,2-c]quinazolin-2-yl]-phenylmethanol
CID 138689651
tert-butyl N-[4-[2-butyl-4-[[4-(hydroxymethyl)-2-methoxyphenyl]methylamino]imidazo[4,5-c]quinolin-1-yl]butyl]carbamate
CID 141645461
Tert-butyl 4-[2-[2-butyl-4-[(2,4-dimethoxyphenyl)methylamino]imidazo[4,5-c]quinolin-1-yl]ethyl]piperazine-1-carboxylate;ethane;molecular hydrogen
CID 142457263
2-Butyl-7-(2,4-dimethoxyphenyl)-1-(2-methylbutyl)imidazo[4,5-c]quinolin-4-amine
CID 142916164
tert-butyl N-[4-[2-butyl-4-[(2,4-dimethoxyphenyl)methylamino]imidazo[4,5-c]quinolin-1-yl]butyl]-N-methylcarbamate;propane
CID 145439359
tert-butyl N-[5-[2-butyl-1-[(2,4-dimethoxyphenyl)methyl]-4-[(2,4-dimethoxyphenyl)methylamino]imidazo[4,5-c]quinolin-7-yl]pentyl]carbamate
CID 148661365
2-butyl-N-(2,4-dimethoxyphenyl)-1-[(2,4-dimethoxyphenyl)methyl]imidazo[4,5-c]quinolin-4-amine
CID 152254546

Frequently Asked Questions

What is the IUPAC name of [4-[[8-bromo-2-butyl-4-[(2,4-dimethoxyphenyl)methylamino]imidazo[4,5-c]quinolin-1-yl]methyl]-3-methoxyphenyl]methanol?
The IUPAC name of [4-[[8-bromo-2-butyl-4-[(2,4-dimethoxyphenyl)methylamino]imidazo[4,5-c]quinolin-1-yl]methyl]-3-methoxyphenyl]methanol (CID 164820876) is [4-[[8-bromo-2-butyl-4-[(2,4-dimethoxyphenyl)methylamino]imidazo[4,5-c]quinolin-1-yl]methyl]-3-methoxyphenyl]methanol.
What is the SMILES notation for [4-[[8-bromo-2-butyl-4-[(2,4-dimethoxyphenyl)methylamino]imidazo[4,5-c]quinolin-1-yl]methyl]-3-methoxyphenyl]methanol?
The canonical SMILES for [4-[[8-bromo-2-butyl-4-[(2,4-dimethoxyphenyl)methylamino]imidazo[4,5-c]quinolin-1-yl]methyl]-3-methoxyphenyl]methanol is CCCCc1nc2c(NCc3ccc(OC)cc3OC)nc3ccc(Br)cc3c2n1Cc1ccc(CO)cc1OC.
What is the InChIKey of [4-[[8-bromo-2-butyl-4-[(2,4-dimethoxyphenyl)methylamino]imidazo[4,5-c]quinolin-1-yl]methyl]-3-methoxyphenyl]methanol?
The InChIKey is DFGHDPYKWHBATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35BrN4O4/c1-5-6-7-29-36-30-31(37(29)18-22-9-8-20(19-38)14-27(22)40-3)25-15-23(33)11-13-26(25)35-32(30)34-17-21-10-12-24(39-2)16-28(21)41-4/h8-16,38H,5-7,17-19H2,1-4H3,(H,34,35).
What are the key properties of [4-[[8-bromo-2-butyl-4-[(2,4-dimethoxyphenyl)methylamino]imidazo[4,5-c]quinolin-1-yl]methyl]-3-methoxyphenyl]methanol?
[4-[[8-bromo-2-butyl-4-[(2,4-dimethoxyphenyl)methylamino]imidazo[4,5-c]quinolin-1-yl]methyl]-3-methoxyphenyl]methanol has a molecular weight of 619.56 g/mol, XLogP of 6.87, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[8-bromo-2-butyl-4-[(2,4-dimethoxyphenyl)methylamino]imidazo[4,5-c]quinolin-1-yl]methyl]-3-methoxyphenyl]methanol is sourced from PubChem (CID 164820876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).