N-(2-chloroethyl)-N-cyclopropylquinoline-6-carboxamide

C15H15ClN2O — CID 63394792

IUPACN-(2-chloroethyl)-N-cyclopropylquinoline-6-carboxamide
SMILESO=C(c1ccc2ncccc2c1)N(CCCl)C1CC1
InChIInChI=1S/C15H15ClN2O/c16-7-9-18(13-4-5-13)15(19)12-3-6-14-11(10-12)2-1-8-17-14/h1-3,6,8,10,13H,4-5,7,9H2
InChIKeyOIRIGGXZABHQCH-UHFFFAOYSA-N
MW274.75 g/mol
LogP3.08
Rot. Bonds4

About N-(2-chloroethyl)-N-cyclopropylquinoline-6-carboxamide

N-(2-chloroethyl)-N-cyclopropylquinoline-6-carboxamide (PubChem CID 63394792) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-cyclopropylquinoline-6-carboxamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-cyclopropylquinoline-6-carboxamide
PubChem CID63394792
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC NameN-(2-chloroethyl)-N-cyclopropylquinoline-6-carboxamide
SMILESO=C(c1ccc2ncccc2c1)N(CCCl)C1CC1
InChIInChI=1S/C15H15ClN2O/c16-7-9-18(13-4-5-13)15(19)12-3-6-14-11(10-12)2-1-8-17-14/h1-3,6,8,10,13H,4-5,7,9H2
InChIKeyOIRIGGXZABHQCH-UHFFFAOYSA-N
XLogP3.08
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-N-prop-2-enylquinoline-6-carboxamide
CID 75399345
N-(5-chloropentyl)-N-methylquinoline-6-carboxamide
CID 107205485
N-(2-chloroethyl)-N-cyclopropylbenzamide
CID 63394612
3-bromo-N-(2-chloroethyl)-N-cyclopropylbenzamide
CID 63394655
N-(2-chloroethyl)quinoline-6-carboxamide
CID 62874874
N-(2-methylpropyl)-N-piperidin-3-ylquinoline-6-carboxamide
CID 142975144
N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]quinoline-6-carboxamide
CID 11426487
N-(2-bromoethyl)-N-methylquinoline-6-carboxamide
CID 80658342
N-(2-chloroethyl)-N-cyclopropyl-3-methoxybenzamide
CID 63394478
N-(2-chloroethyl)-N-cyclopentyl-3,4-dihydroxybenzamide
CID 107728944
N-(2-chloroethyl)-N-cyclopropyl-4-fluoro-3-methoxybenzamide
CID 81284079
N-methyl-N-pyrrolidin-3-ylquinoline-6-carboxamide
CID 55172573

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-cyclopropylquinoline-6-carboxamide?
The IUPAC name of N-(2-chloroethyl)-N-cyclopropylquinoline-6-carboxamide (CID 63394792) is N-(2-chloroethyl)-N-cyclopropylquinoline-6-carboxamide.
What is the SMILES notation for N-(2-chloroethyl)-N-cyclopropylquinoline-6-carboxamide?
The canonical SMILES for N-(2-chloroethyl)-N-cyclopropylquinoline-6-carboxamide is O=C(c1ccc2ncccc2c1)N(CCCl)C1CC1.
What is the InChIKey of N-(2-chloroethyl)-N-cyclopropylquinoline-6-carboxamide?
The InChIKey is OIRIGGXZABHQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O/c16-7-9-18(13-4-5-13)15(19)12-3-6-14-11(10-12)2-1-8-17-14/h1-3,6,8,10,13H,4-5,7,9H2.
What are the key properties of N-(2-chloroethyl)-N-cyclopropylquinoline-6-carboxamide?
N-(2-chloroethyl)-N-cyclopropylquinoline-6-carboxamide has a molecular weight of 274.75 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-cyclopropylquinoline-6-carboxamide is sourced from PubChem (CID 63394792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).