7-chloro-N-(3-methoxypropyl)quinoline-2-carboxamide

C14H15ClN2O2 — CID 110490274

IUPAC7-chloro-N-(3-methoxypropyl)quinoline-2-carboxamide
SMILESCOCCCNC(=O)c1ccc2ccc(Cl)cc2n1
InChIInChI=1S/C14H15ClN2O2/c1-19-8-2-7-16-14(18)12-6-4-10-3-5-11(15)9-13(10)17-12/h3-6,9H,2,7-8H2,1H3,(H,16,18)
InChIKeyIKXREZPVXTVLQS-UHFFFAOYSA-N
MW278.74 g/mol
LogP2.65
Rot. Bonds5

About 7-chloro-N-(3-methoxypropyl)quinoline-2-carboxamide

7-chloro-N-(3-methoxypropyl)quinoline-2-carboxamide (PubChem CID 110490274) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is 7-chloro-N-(3-methoxypropyl)quinoline-2-carboxamide.

Molecular Properties

Compound Name7-chloro-N-(3-methoxypropyl)quinoline-2-carboxamide
PubChem CID110490274
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name7-chloro-N-(3-methoxypropyl)quinoline-2-carboxamide
SMILESCOCCCNC(=O)c1ccc2ccc(Cl)cc2n1
InChIInChI=1S/C14H15ClN2O2/c1-19-8-2-7-16-14(18)12-6-4-10-3-5-11(15)9-13(10)17-12/h3-6,9H,2,7-8H2,1H3,(H,16,18)
InChIKeyIKXREZPVXTVLQS-UHFFFAOYSA-N
XLogP2.65
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7-chloro-N-(3-methoxypropyl)quinoline-2-carboxamide 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

6-(5-chloro-2-methylanilino)-N-(3-methoxypropyl)pyridazine-3-carboxamide
CID 109114369
4-chloro-2-hydroxy-N-(3-methoxypropyl)benzamide
CID 43090061
7-chloro-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]quinoline-2-carboxamide
CID 71923020
6-(5-chloro-2-methoxyanilino)-N-(3-methoxypropyl)pyridazine-3-carboxamide
CID 109114375
5-chloro-N-(3-methoxypropyl)-1H-indole-2-carboxamide
CID 4897321
6-methoxy-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 84581499
N-(3-methoxypropyl)-5-(3-methoxypropylamino)pyridine-2-carboxamide
CID 109184195
N-[3-(quinoline-2-carbonylamino)propyl]quinoline-2-carboxamide
CID 11603405
N-[3-(3-chloro-4-hydroxyphenoxy)propyl]quinoline-2-carboxamide
CID 174438145
7-chloro-N,N-diethylquinoline-2-carboxamide
CID 110490272
5-[4-chloro-2-(trifluoromethyl)anilino]-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109184357
6-[2-(3-chlorophenyl)ethylamino]-N-(3-methoxypropyl)-2-methylpyrimidine-4-carboxamide
CID 109365227

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(3-methoxypropyl)quinoline-2-carboxamide?
The IUPAC name of 7-chloro-N-(3-methoxypropyl)quinoline-2-carboxamide (CID 110490274) is 7-chloro-N-(3-methoxypropyl)quinoline-2-carboxamide.
What is the SMILES notation for 7-chloro-N-(3-methoxypropyl)quinoline-2-carboxamide?
The canonical SMILES for 7-chloro-N-(3-methoxypropyl)quinoline-2-carboxamide is COCCCNC(=O)c1ccc2ccc(Cl)cc2n1.
What is the InChIKey of 7-chloro-N-(3-methoxypropyl)quinoline-2-carboxamide?
The InChIKey is IKXREZPVXTVLQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c1-19-8-2-7-16-14(18)12-6-4-10-3-5-11(15)9-13(10)17-12/h3-6,9H,2,7-8H2,1H3,(H,16,18).
What are the key properties of 7-chloro-N-(3-methoxypropyl)quinoline-2-carboxamide?
7-chloro-N-(3-methoxypropyl)quinoline-2-carboxamide has a molecular weight of 278.74 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-(3-methoxypropyl)quinoline-2-carboxamide is sourced from PubChem (CID 110490274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).