N-(6-chloroquinolin-8-yl)-3-(4-nitroimidazol-1-yl)propanamide

C15H12ClN5O3 — CID 25334693

IUPACN-(6-chloroquinolin-8-yl)-3-(4-nitroimidazol-1-yl)propanamide
SMILESO=C(CCn1cnc([N+](=O)[O-])c1)Nc1cc(Cl)cc2cccnc12
InChIInChI=1S/C15H12ClN5O3/c16-11-6-10-2-1-4-17-15(10)12(7-11)19-14(22)3-5-20-8-13(18-9-20)21(23)24/h1-2,4,6-9H,3,5H2,(H,19,22)
InChIKeyJGSSDTLUYIUOAZ-UHFFFAOYSA-N
MW345.75 g/mol
LogP3.02
Rot. Bonds5

About N-(6-chloroquinolin-8-yl)-3-(4-nitroimidazol-1-yl)propanamide

N-(6-chloroquinolin-8-yl)-3-(4-nitroimidazol-1-yl)propanamide (PubChem CID 25334693) has the molecular formula C15H12ClN5O3 and a molecular weight of 345.75 g/mol. Its IUPAC name is N-(6-chloroquinolin-8-yl)-3-(4-nitroimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(6-chloroquinolin-8-yl)-3-(4-nitroimidazol-1-yl)propanamide
PubChem CID25334693
Molecular FormulaC15H12ClN5O3
Molecular Weight345.75 g/mol
Exact Mass345.06
IUPAC NameN-(6-chloroquinolin-8-yl)-3-(4-nitroimidazol-1-yl)propanamide
SMILESO=C(CCn1cnc([N+](=O)[O-])c1)Nc1cc(Cl)cc2cccnc12
InChIInChI=1S/C15H12ClN5O3/c16-11-6-10-2-1-4-17-15(10)12(7-11)19-14(22)3-5-20-8-13(18-9-20)21(23)24/h1-2,4,6-9H,3,5H2,(H,19,22)
InChIKeyJGSSDTLUYIUOAZ-UHFFFAOYSA-N
XLogP3.02
TPSA102.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.75
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(6-chloroquinolin-8-yl)-3-(4-nitroimidazol-1-yl)propanamide 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-(6-chloroquinolin-8-yl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 24673464
N-(6-chloroquinolin-8-yl)-5-hydroxypentanamide
CID 79199292
N-(6-chloroquinolin-8-yl)-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide
CID 24673492
N-(6-chloroquinolin-8-yl)-2-(prop-2-ynylamino)acetamide
CID 79286732
3-[3-(4-nitroimidazol-1-yl)propanoylamino]-1H-pyrazole-5-carboxylic acid
CID 64527671
N-(6-chloroquinolin-8-yl)-2-(cyclopropylamino)acetamide
CID 60842689
N-(6-chloroquinolin-8-yl)-1,4-dimethylpyrazole-3-carboxamide
CID 166321071
2-[3-(4-nitroimidazol-1-yl)propanoylamino]oxyacetic acid
CID 63913177
2-(1-aminocyclopentyl)-N-(6-chloroquinolin-8-yl)acetamide
CID 64685201
N-(1-hydroxybutan-2-yl)-3-(4-nitroimidazol-1-yl)propanamide
CID 43417891
N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(4-nitroimidazol-1-yl)propanamide
CID 43546550
N-(6-chloroquinolin-8-yl)-2-(2,4-difluorophenyl)sulfanylacetamide
CID 24673455

Frequently Asked Questions

What is the IUPAC name of N-(6-chloroquinolin-8-yl)-3-(4-nitroimidazol-1-yl)propanamide?
The IUPAC name of N-(6-chloroquinolin-8-yl)-3-(4-nitroimidazol-1-yl)propanamide (CID 25334693) is N-(6-chloroquinolin-8-yl)-3-(4-nitroimidazol-1-yl)propanamide.
What is the SMILES notation for N-(6-chloroquinolin-8-yl)-3-(4-nitroimidazol-1-yl)propanamide?
The canonical SMILES for N-(6-chloroquinolin-8-yl)-3-(4-nitroimidazol-1-yl)propanamide is O=C(CCn1cnc([N+](=O)[O-])c1)Nc1cc(Cl)cc2cccnc12.
What is the InChIKey of N-(6-chloroquinolin-8-yl)-3-(4-nitroimidazol-1-yl)propanamide?
The InChIKey is JGSSDTLUYIUOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN5O3/c16-11-6-10-2-1-4-17-15(10)12(7-11)19-14(22)3-5-20-8-13(18-9-20)21(23)24/h1-2,4,6-9H,3,5H2,(H,19,22).
What are the key properties of N-(6-chloroquinolin-8-yl)-3-(4-nitroimidazol-1-yl)propanamide?
N-(6-chloroquinolin-8-yl)-3-(4-nitroimidazol-1-yl)propanamide has a molecular weight of 345.75 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloroquinolin-8-yl)-3-(4-nitroimidazol-1-yl)propanamide is sourced from PubChem (CID 25334693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).