N-(2-chloro-2-cyclopropylethyl)quinoline-6-carboxamide

C15H15ClN2O — CID 113273458

IUPACN-(2-chloro-2-cyclopropylethyl)quinoline-6-carboxamide
SMILESO=C(NCC(Cl)C1CC1)c1ccc2ncccc2c1
InChIInChI=1S/C15H15ClN2O/c16-13(10-3-4-10)9-18-15(19)12-5-6-14-11(8-12)2-1-7-17-14/h1-2,5-8,10,13H,3-4,9H2,(H,18,19)
InChIKeyAREIPAXTEGKTIB-UHFFFAOYSA-N
MW274.75 g/mol
LogP2.98
Rot. Bonds4

About N-(2-chloro-2-cyclopropylethyl)quinoline-6-carboxamide

N-(2-chloro-2-cyclopropylethyl)quinoline-6-carboxamide (PubChem CID 113273458) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is N-(2-chloro-2-cyclopropylethyl)quinoline-6-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-2-cyclopropylethyl)quinoline-6-carboxamide
PubChem CID113273458
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC NameN-(2-chloro-2-cyclopropylethyl)quinoline-6-carboxamide
SMILESO=C(NCC(Cl)C1CC1)c1ccc2ncccc2c1
InChIInChI=1S/C15H15ClN2O/c16-13(10-3-4-10)9-18-15(19)12-5-6-14-11(8-12)2-1-7-17-14/h1-2,5-8,10,13H,3-4,9H2,(H,18,19)
InChIKeyAREIPAXTEGKTIB-UHFFFAOYSA-N
XLogP2.98
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-chloro-2-cyclopropylethyl)quinoline-6-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

N-(2-chlorobutyl)quinoline-6-carboxamide
CID 113492848
N-(2-ethylbutyl)quinoline-6-carboxamide
CID 115613111
N-(3-amino-2-hydroxy-3-oxopropyl)quinoline-6-carboxamide
CID 107261247
2-methyl-3-(quinoline-6-carbonylamino)propanoic acid
CID 55126598
N-(2-chloroethyl)quinoline-6-carboxamide
CID 62874874
N-(3-amino-2-methylpropyl)quinoline-6-carboxamide
CID 55126976
N-(3,3,3-trifluoro-2-hydroxypropyl)quinoline-6-carboxamide
CID 103726459
3-bromo-N-(2-chloro-2-cyclopropylethyl)benzamide
CID 114305198
N-(3-amino-2-methyl-3-sulfanylidenepropyl)quinoline-6-carboxamide
CID 62851157
N-(2-hydroxy-2-thiophen-3-ylethyl)quinoline-6-carboxamide
CID 103686077
N-[(3-aminocyclobutyl)methyl]quinoline-6-carboxamide
CID 66004939
N-[2-(cycloheptylamino)ethyl]quinoline-6-carboxamide;dihydrochloride
CID 119620989

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-2-cyclopropylethyl)quinoline-6-carboxamide?
The IUPAC name of N-(2-chloro-2-cyclopropylethyl)quinoline-6-carboxamide (CID 113273458) is N-(2-chloro-2-cyclopropylethyl)quinoline-6-carboxamide.
What is the SMILES notation for N-(2-chloro-2-cyclopropylethyl)quinoline-6-carboxamide?
The canonical SMILES for N-(2-chloro-2-cyclopropylethyl)quinoline-6-carboxamide is O=C(NCC(Cl)C1CC1)c1ccc2ncccc2c1.
What is the InChIKey of N-(2-chloro-2-cyclopropylethyl)quinoline-6-carboxamide?
The InChIKey is AREIPAXTEGKTIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O/c16-13(10-3-4-10)9-18-15(19)12-5-6-14-11(8-12)2-1-7-17-14/h1-2,5-8,10,13H,3-4,9H2,(H,18,19).
What are the key properties of N-(2-chloro-2-cyclopropylethyl)quinoline-6-carboxamide?
N-(2-chloro-2-cyclopropylethyl)quinoline-6-carboxamide has a molecular weight of 274.75 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-2-cyclopropylethyl)quinoline-6-carboxamide is sourced from PubChem (CID 113273458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).