2-butyl-1-(4-hydroxybutyl)-4-(methylamino)imidazo[4,5-c]quinoline-7-carboxylic acid

C20H26N4O3 — CID 170766222

IUPAC2-butyl-1-(4-hydroxybutyl)-4-(methylamino)imidazo[4,5-c]quinoline-7-carboxylic acid
SMILESCCCCc1nc2c(NC)nc3cc(C(=O)O)ccc3c2n1CCCCO
InChIInChI=1S/C20H26N4O3/c1-3-4-7-16-23-17-18(24(16)10-5-6-11-25)14-9-8-13(20(26)27)12-15(14)22-19(17)21-2/h8-9,12,25H,3-7,10-11H2,1-2H3,(H,21,22)(H,26,27)
InChIKeyGOXFZNQGQGSTPV-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.44
Rot. Bonds9

About 2-butyl-1-(4-hydroxybutyl)-4-(methylamino)imidazo[4,5-c]quinoline-7-carboxylic acid

2-butyl-1-(4-hydroxybutyl)-4-(methylamino)imidazo[4,5-c]quinoline-7-carboxylic acid (PubChem CID 170766222) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 2-butyl-1-(4-hydroxybutyl)-4-(methylamino)imidazo[4,5-c]quinoline-7-carboxylic acid.

Molecular Properties

Compound Name2-butyl-1-(4-hydroxybutyl)-4-(methylamino)imidazo[4,5-c]quinoline-7-carboxylic acid
PubChem CID170766222
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name2-butyl-1-(4-hydroxybutyl)-4-(methylamino)imidazo[4,5-c]quinoline-7-carboxylic acid
SMILESCCCCc1nc2c(NC)nc3cc(C(=O)O)ccc3c2n1CCCCO
InChIInChI=1S/C20H26N4O3/c1-3-4-7-16-23-17-18(24(16)10-5-6-11-25)14-9-8-13(20(26)27)12-15(14)22-19(17)21-2/h8-9,12,25H,3-7,10-11H2,1-2H3,(H,21,22)(H,26,27)
InChIKeyGOXFZNQGQGSTPV-UHFFFAOYSA-N
XLogP3.44
TPSA100.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-butyl-1-(4-hydroxybutyl)-4-(methylamino)imidazo[4,5-c]quinoline-7-carboxylic acid 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

methyl 2-butyl-1-[5-(dimethylamino)pentyl]-4-(methylamino)imidazo[4,5-c]quinoline-7-carboxylate
CID 170766247
4-amino-2-butyl-1-[2-[4-(methylaminomethyl)phenyl]ethyl]imidazo[4,5-c]quinoline-7-carboxylic acid
CID 170766181
1-[[4-(aminomethyl)phenyl]methyl]-2-(2-methoxyethyl)-4-(methylamino)imidazo[4,5-c]quinoline-7-carboxylic acid
CID 170766178
2-butyl-1-(2,2-dimethylpropyl)-N-methylimidazo[4,5-c]quinolin-4-amine
CID 167067037
2-butyl-4-(methylamino)-1-[3-(phenylsulfanylamino)propyl]imidazo[4,5-c]quinoline-7-carbaldehyde;ethane;methanol
CID 170766160
methyl 4-amino-2-butyl-1-(4-methoxy-4-oxobutyl)imidazo[4,5-c]quinoline-7-carboxylate
CID 130289627
methyl 4-amino-2-butyl-1-(5-methoxy-5-oxopentyl)imidazo[4,5-c]quinoline-7-carboxylate
CID 130289685
4-amino-2-butyl-1-[[4-[(dimethylamino)methyl]phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylic acid
CID 164869581
methyl 4-amino-2-butyl-1-[2-(dimethylamino)ethyl]imidazo[4,5-c]quinoline-7-carboxylate
CID 171647408
methyl 4-amino-2-butyl-1-(2-methylsulfanylethyl)imidazo[4,5-c]quinoline-7-carboxylate
CID 130289620
N-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)propyl]benzamide
CID 23512725
[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]methanol
CID 138457331

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-(4-hydroxybutyl)-4-(methylamino)imidazo[4,5-c]quinoline-7-carboxylic acid?
The IUPAC name of 2-butyl-1-(4-hydroxybutyl)-4-(methylamino)imidazo[4,5-c]quinoline-7-carboxylic acid (CID 170766222) is 2-butyl-1-(4-hydroxybutyl)-4-(methylamino)imidazo[4,5-c]quinoline-7-carboxylic acid.
What is the SMILES notation for 2-butyl-1-(4-hydroxybutyl)-4-(methylamino)imidazo[4,5-c]quinoline-7-carboxylic acid?
The canonical SMILES for 2-butyl-1-(4-hydroxybutyl)-4-(methylamino)imidazo[4,5-c]quinoline-7-carboxylic acid is CCCCc1nc2c(NC)nc3cc(C(=O)O)ccc3c2n1CCCCO.
What is the InChIKey of 2-butyl-1-(4-hydroxybutyl)-4-(methylamino)imidazo[4,5-c]quinoline-7-carboxylic acid?
The InChIKey is GOXFZNQGQGSTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-3-4-7-16-23-17-18(24(16)10-5-6-11-25)14-9-8-13(20(26)27)12-15(14)22-19(17)21-2/h8-9,12,25H,3-7,10-11H2,1-2H3,(H,21,22)(H,26,27).
What are the key properties of 2-butyl-1-(4-hydroxybutyl)-4-(methylamino)imidazo[4,5-c]quinoline-7-carboxylic acid?
2-butyl-1-(4-hydroxybutyl)-4-(methylamino)imidazo[4,5-c]quinoline-7-carboxylic acid has a molecular weight of 370.45 g/mol, XLogP of 3.44, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-(4-hydroxybutyl)-4-(methylamino)imidazo[4,5-c]quinoline-7-carboxylic acid is sourced from PubChem (CID 170766222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).