4-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]-4-oxobutanoic acid

C22H29N5O3 — CID 135137543

IUPAC4-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]-4-oxobutanoic acid
SMILESCCCCc1nc2c(N)nc3ccccc3c2n1CCCCNC(=O)CCC(=O)O
InChIInChI=1S/C22H29N5O3/c1-2-3-10-17-26-20-21(15-8-4-5-9-16(15)25-22(20)23)27(17)14-7-6-13-24-18(28)11-12-19(29)30/h4-5,8-9H,2-3,6-7,10-14H2,1H3,(H2,23,25)(H,24,28)(H,29,30)
InChIKeyCUBXORDTTAVJBX-UHFFFAOYSA-N
MW411.51 g/mol
LogP3.27
Rot. Bonds11

About 4-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]-4-oxobutanoic acid

4-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]-4-oxobutanoic acid (PubChem CID 135137543) has the molecular formula C22H29N5O3 and a molecular weight of 411.51 g/mol. Its IUPAC name is 4-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]-4-oxobutanoic acid
PubChem CID135137543
Molecular FormulaC22H29N5O3
Molecular Weight411.51 g/mol
Exact Mass411.23
IUPAC Name4-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]-4-oxobutanoic acid
SMILESCCCCc1nc2c(N)nc3ccccc3c2n1CCCCNC(=O)CCC(=O)O
InChIInChI=1S/C22H29N5O3/c1-2-3-10-17-26-20-21(15-8-4-5-9-16(15)25-22(20)23)27(17)14-7-6-13-24-18(28)11-12-19(29)30/h4-5,8-9H,2-3,6-7,10-14H2,1H3,(H2,23,25)(H,24,28)(H,29,30)
InChIKeyCUBXORDTTAVJBX-UHFFFAOYSA-N
XLogP3.27
TPSA123.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]-4-oxobutanoic 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

N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-N'-[2-[[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]butanediamide
CID 167295895
N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-N'-[2-[[2-[[2-[(10-aminocyclodeca-1,3,5,7,9-pentaen-1-yl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]butanediamide
CID 167295850
[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]methanol
CID 138457331
N-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)propyl]benzamide
CID 23512725
N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-4-[[5-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]-2-cyano-5-oxopentan-2-yl]diazenyl]-4-cyanopentanamide
CID 155223008
4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butanoic acid
CID 141281240
N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-N'-[(3-aminocyclotridecyl)methyl]butanediamide
CID 154972256
2-butyl-1-hexylimidazo[4,5-c]quinolin-4-amine
CID 157447950
N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-3-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)propanamide
CID 145439399
N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-3-[2-[2-[2-[2-[3-[[4-(methylamino)-5-oxohexyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide
CID 166571814
N-[3-(4-amino-2-methylimidazo[4,5-c]quinolin-1-yl)propyl]butanamide
CID 23512673
1-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-3-(2-chlorophenyl)urea
CID 22985761

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]-4-oxobutanoic acid?
The IUPAC name of 4-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]-4-oxobutanoic acid (CID 135137543) is 4-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]-4-oxobutanoic acid?
The canonical SMILES for 4-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]-4-oxobutanoic acid is CCCCc1nc2c(N)nc3ccccc3c2n1CCCCNC(=O)CCC(=O)O.
What is the InChIKey of 4-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]-4-oxobutanoic acid?
The InChIKey is CUBXORDTTAVJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O3/c1-2-3-10-17-26-20-21(15-8-4-5-9-16(15)25-22(20)23)27(17)14-7-6-13-24-18(28)11-12-19(29)30/h4-5,8-9H,2-3,6-7,10-14H2,1H3,(H2,23,25)(H,24,28)(H,29,30).
What are the key properties of 4-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]-4-oxobutanoic acid?
4-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]-4-oxobutanoic acid has a molecular weight of 411.51 g/mol, XLogP of 3.27, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]-4-oxobutanoic acid is sourced from PubChem (CID 135137543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).