2-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]guanidine;hydrochloride

C19H28ClN7 — CID 126650986

IUPAC2-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]guanidine;hydrochloride
SMILESCCCCc1nc2c(N)nc3ccccc3c2n1CCCCN=C(N)N.Cl
InChIInChI=1S/C19H27N7.ClH/c1-2-3-10-15-25-16-17(26(15)12-7-6-11-23-19(21)22)13-8-4-5-9-14(13)24-18(16)20;/h4-5,8-9H,2-3,6-7,10-12H2,1H3,(H2,20,24)(H4,21,22,23);1H
InChIKeyMHIFLLXHHBCOSN-UHFFFAOYSA-N
MW389.94 g/mol
LogP2.98
Rot. Bonds8

About 2-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]guanidine;hydrochloride

2-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]guanidine;hydrochloride (PubChem CID 126650986) has the molecular formula C19H28ClN7 and a molecular weight of 389.94 g/mol. Its IUPAC name is 2-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]guanidine;hydrochloride.

Molecular Properties

Compound Name2-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]guanidine;hydrochloride
PubChem CID126650986
Molecular FormulaC19H28ClN7
Molecular Weight389.94 g/mol
Exact Mass389.21
IUPAC Name2-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]guanidine;hydrochloride
SMILESCCCCc1nc2c(N)nc3ccccc3c2n1CCCCN=C(N)N.Cl
InChIInChI=1S/C19H27N7.ClH/c1-2-3-10-15-25-16-17(26(15)12-7-6-11-23-19(21)22)13-8-4-5-9-14(13)24-18(16)20;/h4-5,8-9H,2-3,6-7,10-12H2,1H3,(H2,20,24)(H4,21,22,23);1H
InChIKeyMHIFLLXHHBCOSN-UHFFFAOYSA-N
XLogP2.98
TPSA121.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.94
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]guanidine;hydrochloride 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

2-butyl-1-hexylimidazo[4,5-c]quinolin-4-amine
CID 157447950
[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]methanol
CID 138457331
2-amino-N-[2-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]-5-(diaminomethylideneamino)pentanamide;ethane
CID 162737190
7-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-1-aminooxyheptan-2-one
CID 165105323
N-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)propyl]benzamide
CID 23512725
2-butyl-1-(4-tert-butylsulfanylbutyl)imidazo[4,5-c]quinolin-4-amine
CID 10287302
tert-butyl N-[(2S)-1-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethylamino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamate
CID 162372989
4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butanoic acid
CID 141281240
4-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]-4-oxobutanoic acid
CID 135137543
1-(4-chlorobutyl)-2-propylimidazo[4,5-c]quinolin-4-amine
CID 22320471
2-butyl-1-[4-(ethylaminooxy)butyl]imidazo[4,5-c]quinolin-4-amine;ethane
CID 143008375
2-butyl-1-[(4Z)-4-methoxyiminobutyl]imidazo[4,5-c]quinolin-4-amine
CID 87867716

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]guanidine;hydrochloride?
The IUPAC name of 2-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]guanidine;hydrochloride (CID 126650986) is 2-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]guanidine;hydrochloride.
What is the SMILES notation for 2-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]guanidine;hydrochloride?
The canonical SMILES for 2-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]guanidine;hydrochloride is CCCCc1nc2c(N)nc3ccccc3c2n1CCCCN=C(N)N.Cl.
What is the InChIKey of 2-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]guanidine;hydrochloride?
The InChIKey is MHIFLLXHHBCOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N7.ClH/c1-2-3-10-15-25-16-17(26(15)12-7-6-11-23-19(21)22)13-8-4-5-9-14(13)24-18(16)20;/h4-5,8-9H,2-3,6-7,10-12H2,1H3,(H2,20,24)(H4,21,22,23);1H.
What are the key properties of 2-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]guanidine;hydrochloride?
2-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]guanidine;hydrochloride has a molecular weight of 389.94 g/mol, XLogP of 2.98, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]guanidine;hydrochloride is sourced from PubChem (CID 126650986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).