2-butyl-4-chloro-1-hydroxyimidazo[4,5-c]quinoline

C14H14ClN3O — CID 89216311

IUPAC2-butyl-4-chloro-1-hydroxyimidazo[4,5-c]quinoline
SMILESCCCCc1nc2c(Cl)nc3ccccc3c2n1O
InChIInChI=1S/C14H14ClN3O/c1-2-3-8-11-17-12-13(18(11)19)9-6-4-5-7-10(9)16-14(12)15/h4-7,19H,2-3,8H2,1H3
InChIKeyAYKTWEHEGJBTTO-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.82
Rot. Bonds3

About 2-butyl-4-chloro-1-hydroxyimidazo[4,5-c]quinoline

2-butyl-4-chloro-1-hydroxyimidazo[4,5-c]quinoline (PubChem CID 89216311) has the molecular formula C14H14ClN3O and a molecular weight of 275.74 g/mol. Its IUPAC name is 2-butyl-4-chloro-1-hydroxyimidazo[4,5-c]quinoline.

Molecular Properties

Compound Name2-butyl-4-chloro-1-hydroxyimidazo[4,5-c]quinoline
PubChem CID89216311
Molecular FormulaC14H14ClN3O
Molecular Weight275.74 g/mol
Exact Mass275.08
IUPAC Name2-butyl-4-chloro-1-hydroxyimidazo[4,5-c]quinoline
SMILESCCCCc1nc2c(Cl)nc3ccccc3c2n1O
InChIInChI=1S/C14H14ClN3O/c1-2-3-8-11-17-12-13(18(11)19)9-6-4-5-7-10(9)16-14(12)15/h4-7,19H,2-3,8H2,1H3
InChIKeyAYKTWEHEGJBTTO-UHFFFAOYSA-N
XLogP3.82
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-butyl-4-chloroimidazo[4,5-c]quinolin-1-yl)butan-1-amine
CID 138457354
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
1-(1-benzyl-2-butylimidazo[4,5-c]quinolin-4-yl)-2-methylhydrazine
CID 126700153
2-butyl-1-hexylimidazo[4,5-c]quinolin-4-amine
CID 157447950
1-(2-methylpropyl)-2-pentylimidazo[4,5-c]quinolin-4-amine
CID 11185992
2-heptyl-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine
CID 11739260
4-chloro-N,1-dimethylimidazo[4,5-c]quinolin-2-amine
CID 86227601
S-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl] propanethioate
CID 130233004
2-butyl-1-(furan-3-ylmethyl)imidazo[4,5-c]quinolin-4-amine
CID 177376202
2-butyl-1-(2,2-dimethylpropyl)-N-methylimidazo[4,5-c]quinolin-4-amine
CID 167067037
9-butylacridine
CID 606127

Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-chloro-1-hydroxyimidazo[4,5-c]quinoline?
The IUPAC name of 2-butyl-4-chloro-1-hydroxyimidazo[4,5-c]quinoline (CID 89216311) is 2-butyl-4-chloro-1-hydroxyimidazo[4,5-c]quinoline.
What is the SMILES notation for 2-butyl-4-chloro-1-hydroxyimidazo[4,5-c]quinoline?
The canonical SMILES for 2-butyl-4-chloro-1-hydroxyimidazo[4,5-c]quinoline is CCCCc1nc2c(Cl)nc3ccccc3c2n1O.
What is the InChIKey of 2-butyl-4-chloro-1-hydroxyimidazo[4,5-c]quinoline?
The InChIKey is AYKTWEHEGJBTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O/c1-2-3-8-11-17-12-13(18(11)19)9-6-4-5-7-10(9)16-14(12)15/h4-7,19H,2-3,8H2,1H3.
What are the key properties of 2-butyl-4-chloro-1-hydroxyimidazo[4,5-c]quinoline?
2-butyl-4-chloro-1-hydroxyimidazo[4,5-c]quinoline has a molecular weight of 275.74 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-chloro-1-hydroxyimidazo[4,5-c]quinoline is sourced from PubChem (CID 89216311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).