N-butyl-3H-imidazo[4,5-c]quinoline-4-carboxamide;hydrochloride

C15H17ClN4O — CID 69086534

IUPACN-butyl-3H-imidazo[4,5-c]quinoline-4-carboxamide;hydrochloride
SMILESCCCCNC(=O)c1nc2ccccc2c2nc[nH]c12.Cl
InChIInChI=1S/C15H16N4O.ClH/c1-2-3-8-16-15(20)14-13-12(17-9-18-13)10-6-4-5-7-11(10)19-14;/h4-7,9H,2-3,8H2,1H3,(H,16,20)(H,17,18);1H
InChIKeyQIGMSDAIKWEZNQ-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.06
Rot. Bonds4

About N-butyl-3H-imidazo[4,5-c]quinoline-4-carboxamide;hydrochloride

N-butyl-3H-imidazo[4,5-c]quinoline-4-carboxamide;hydrochloride (PubChem CID 69086534) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is N-butyl-3H-imidazo[4,5-c]quinoline-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-butyl-3H-imidazo[4,5-c]quinoline-4-carboxamide;hydrochloride
PubChem CID69086534
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC NameN-butyl-3H-imidazo[4,5-c]quinoline-4-carboxamide;hydrochloride
SMILESCCCCNC(=O)c1nc2ccccc2c2nc[nH]c12.Cl
InChIInChI=1S/C15H16N4O.ClH/c1-2-3-8-16-15(20)14-13-12(17-9-18-13)10-6-4-5-7-11(10)19-14;/h4-7,9H,2-3,8H2,1H3,(H,16,20)(H,17,18);1H
InChIKeyQIGMSDAIKWEZNQ-UHFFFAOYSA-N
XLogP3.06
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butylquinazoline-4-carboxamide
CID 110702643
ethyl N-(3H-imidazo[4,5-c]quinolin-4-yl)carbamate
CID 141170847
N-butyl-2-chloroquinoline-4-carboxamide
CID 14813194
4-N,5-N-dibutyl-1H-imidazole-4,5-dicarboxamide
CID 551896
4-bromo-N-pentylquinoline-2-carboxamide
CID 178088871
N-butyl-1-(methylamino)isoquinoline-4-carboxamide
CID 106769901
2-(2-methylphenyl)-N-undecylquinoline-4-carboxamide
CID 4162028
N-dodecyl-2-phenylquinoline-4-carboxamide
CID 4169141
4-N,5-N,10-N,11-N,16-N,17-N-hexahexyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1,3,5,7,9,11,13,15,17-nonaene-4,5,10,11,16,17-hexacarboxamide
CID 14294049
4-amino-N-butylnaphthalene-1-carboxamide
CID 70501501
1-butyl-3-(2-methylquinolin-4-yl)urea
CID 115571496
2-(3,4-dimethylphenyl)-N-nonylquinoline-4-carboxamide
CID 4090468

Frequently Asked Questions

What is the IUPAC name of N-butyl-3H-imidazo[4,5-c]quinoline-4-carboxamide;hydrochloride?
The IUPAC name of N-butyl-3H-imidazo[4,5-c]quinoline-4-carboxamide;hydrochloride (CID 69086534) is N-butyl-3H-imidazo[4,5-c]quinoline-4-carboxamide;hydrochloride.
What is the SMILES notation for N-butyl-3H-imidazo[4,5-c]quinoline-4-carboxamide;hydrochloride?
The canonical SMILES for N-butyl-3H-imidazo[4,5-c]quinoline-4-carboxamide;hydrochloride is CCCCNC(=O)c1nc2ccccc2c2nc[nH]c12.Cl.
What is the InChIKey of N-butyl-3H-imidazo[4,5-c]quinoline-4-carboxamide;hydrochloride?
The InChIKey is QIGMSDAIKWEZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O.ClH/c1-2-3-8-16-15(20)14-13-12(17-9-18-13)10-6-4-5-7-11(10)19-14;/h4-7,9H,2-3,8H2,1H3,(H,16,20)(H,17,18);1H.
What are the key properties of N-butyl-3H-imidazo[4,5-c]quinoline-4-carboxamide;hydrochloride?
N-butyl-3H-imidazo[4,5-c]quinoline-4-carboxamide;hydrochloride has a molecular weight of 304.78 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3H-imidazo[4,5-c]quinoline-4-carboxamide;hydrochloride is sourced from PubChem (CID 69086534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).