4-(2-butyl-4-chloroimidazo[4,5-c]quinolin-1-yl)butan-1-amine

C18H23ClN4 — CID 138457354

IUPAC4-(2-butyl-4-chloroimidazo[4,5-c]quinolin-1-yl)butan-1-amine
SMILESCCCCc1nc2c(Cl)nc3ccccc3c2n1CCCCN
InChIInChI=1S/C18H23ClN4/c1-2-3-10-15-22-16-17(23(15)12-7-6-11-20)13-8-4-5-9-14(13)21-18(16)19/h4-5,8-9H,2-3,6-7,10-12,20H2,1H3
InChIKeyBVTTWNSDNUCGCG-UHFFFAOYSA-N
MW330.86 g/mol
LogP4.32
Rot. Bonds7

About 4-(2-butyl-4-chloroimidazo[4,5-c]quinolin-1-yl)butan-1-amine

4-(2-butyl-4-chloroimidazo[4,5-c]quinolin-1-yl)butan-1-amine (PubChem CID 138457354) has the molecular formula C18H23ClN4 and a molecular weight of 330.86 g/mol. Its IUPAC name is 4-(2-butyl-4-chloroimidazo[4,5-c]quinolin-1-yl)butan-1-amine.

Molecular Properties

Compound Name4-(2-butyl-4-chloroimidazo[4,5-c]quinolin-1-yl)butan-1-amine
PubChem CID138457354
Molecular FormulaC18H23ClN4
Molecular Weight330.86 g/mol
Exact Mass330.16
IUPAC Name4-(2-butyl-4-chloroimidazo[4,5-c]quinolin-1-yl)butan-1-amine
SMILESCCCCc1nc2c(Cl)nc3ccccc3c2n1CCCCN
InChIInChI=1S/C18H23ClN4/c1-2-3-10-15-22-16-17(23(15)12-7-6-11-20)13-8-4-5-9-14(13)21-18(16)19/h4-5,8-9H,2-3,6-7,10-12,20H2,1H3
InChIKeyBVTTWNSDNUCGCG-UHFFFAOYSA-N
XLogP4.32
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-butyl-1-hexylimidazo[4,5-c]quinolin-4-amine
CID 157447950
4-(2-butylimidazo[4,5-c]quinolin-1-yl)butan-1-amine
CID 141029789
2-butyl-4-chloro-1-hydroxyimidazo[4,5-c]quinoline
CID 89216311
[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]methanol
CID 138457331
1-(4-chlorobutyl)-2-propylimidazo[4,5-c]quinolin-4-amine
CID 22320471
2-butyl-1-(4-tert-butylsulfanylbutyl)imidazo[4,5-c]quinolin-4-amine
CID 10287302
2-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]guanidine;hydrochloride
CID 126650986
N-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)propyl]benzamide
CID 23512725
2-butyl-1-[4-(ethylaminooxy)butyl]imidazo[4,5-c]quinolin-4-amine;ethane
CID 143008375
1-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-3-(2-chlorophenyl)urea
CID 22985761
tert-butyl N-[[4-[(2-butyl-4-chloroimidazo[4,5-c]quinolin-1-yl)methyl]-1-bicyclo[2.2.2]octanyl]methyl]carbamate
CID 178085262
2-butyl-1-[(4-ethylphenyl)methyl]imidazo[4,5-c]quinolin-4-amine
CID 134510359

Frequently Asked Questions

What is the IUPAC name of 4-(2-butyl-4-chloroimidazo[4,5-c]quinolin-1-yl)butan-1-amine?
The IUPAC name of 4-(2-butyl-4-chloroimidazo[4,5-c]quinolin-1-yl)butan-1-amine (CID 138457354) is 4-(2-butyl-4-chloroimidazo[4,5-c]quinolin-1-yl)butan-1-amine.
What is the SMILES notation for 4-(2-butyl-4-chloroimidazo[4,5-c]quinolin-1-yl)butan-1-amine?
The canonical SMILES for 4-(2-butyl-4-chloroimidazo[4,5-c]quinolin-1-yl)butan-1-amine is CCCCc1nc2c(Cl)nc3ccccc3c2n1CCCCN.
What is the InChIKey of 4-(2-butyl-4-chloroimidazo[4,5-c]quinolin-1-yl)butan-1-amine?
The InChIKey is BVTTWNSDNUCGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4/c1-2-3-10-15-22-16-17(23(15)12-7-6-11-20)13-8-4-5-9-14(13)21-18(16)19/h4-5,8-9H,2-3,6-7,10-12,20H2,1H3.
What are the key properties of 4-(2-butyl-4-chloroimidazo[4,5-c]quinolin-1-yl)butan-1-amine?
4-(2-butyl-4-chloroimidazo[4,5-c]quinolin-1-yl)butan-1-amine has a molecular weight of 330.86 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-butyl-4-chloroimidazo[4,5-c]quinolin-1-yl)butan-1-amine is sourced from PubChem (CID 138457354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).