N-(3-chloropropyl)-N-cyclobutylquinoline-2-carboxamide

C17H19ClN2O — CID 102872000

IUPACN-(3-chloropropyl)-N-cyclobutylquinoline-2-carboxamide
SMILESO=C(c1ccc2ccccc2n1)N(CCCCl)C1CCC1
InChIInChI=1S/C17H19ClN2O/c18-11-4-12-20(14-6-3-7-14)17(21)16-10-9-13-5-1-2-8-15(13)19-16/h1-2,5,8-10,14H,3-4,6-7,11-12H2
InChIKeyVTFJRHJPBYQGQV-UHFFFAOYSA-N
MW302.80 g/mol
LogP3.86
Rot. Bonds5

About N-(3-chloropropyl)-N-cyclobutylquinoline-2-carboxamide

N-(3-chloropropyl)-N-cyclobutylquinoline-2-carboxamide (PubChem CID 102872000) has the molecular formula C17H19ClN2O and a molecular weight of 302.80 g/mol. Its IUPAC name is N-(3-chloropropyl)-N-cyclobutylquinoline-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloropropyl)-N-cyclobutylquinoline-2-carboxamide
PubChem CID102872000
Molecular FormulaC17H19ClN2O
Molecular Weight302.80 g/mol
Exact Mass302.12
IUPAC NameN-(3-chloropropyl)-N-cyclobutylquinoline-2-carboxamide
SMILESO=C(c1ccc2ccccc2n1)N(CCCCl)C1CCC1
InChIInChI=1S/C17H19ClN2O/c18-11-4-12-20(14-6-3-7-14)17(21)16-10-9-13-5-1-2-8-15(13)19-16/h1-2,5,8-10,14H,3-4,6-7,11-12H2
InChIKeyVTFJRHJPBYQGQV-UHFFFAOYSA-N
XLogP3.86
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.80
LogP ≤ 53.86
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

2-[cyclopropyl(quinoline-2-carbonyl)amino]acetic acid
CID 60825209
N-[2-[cyclohexyl(methyl)amino]ethyl]-N-methylquinoline-2-carboxamide
CID 71885341
3-[cyclopropyl(quinoline-2-carbonyl)amino]-2-methylpropanoic acid
CID 120535420
N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)quinoline-2-carboxamide
CID 90607272
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentylquinoline-2-carboxamide
CID 18190249
N-(2-chloroethyl)-N-(2,2-difluoroethyl)quinoline-2-carboxamide
CID 107491243
N-(2-chloroethyl)-N-cyclobutyl-5-fluoropyridine-2-carboxamide
CID 102872801
N-(2-chloroethyl)-N-cyclopropylbenzamide
CID 63394612
N-(2-chloroethyl)-N-cyclopropylquinoline-6-carboxamide
CID 63394792
N-(3-chloropropyl)-N-cyclobutyl-2-ethoxybenzamide
CID 102871986
N-cyclopentyl-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 54994544
6-chloro-N-cyclopentyl-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 55211893

Frequently Asked Questions

What is the IUPAC name of N-(3-chloropropyl)-N-cyclobutylquinoline-2-carboxamide?
The IUPAC name of N-(3-chloropropyl)-N-cyclobutylquinoline-2-carboxamide (CID 102872000) is N-(3-chloropropyl)-N-cyclobutylquinoline-2-carboxamide.
What is the SMILES notation for N-(3-chloropropyl)-N-cyclobutylquinoline-2-carboxamide?
The canonical SMILES for N-(3-chloropropyl)-N-cyclobutylquinoline-2-carboxamide is O=C(c1ccc2ccccc2n1)N(CCCCl)C1CCC1.
What is the InChIKey of N-(3-chloropropyl)-N-cyclobutylquinoline-2-carboxamide?
The InChIKey is VTFJRHJPBYQGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c18-11-4-12-20(14-6-3-7-14)17(21)16-10-9-13-5-1-2-8-15(13)19-16/h1-2,5,8-10,14H,3-4,6-7,11-12H2.
What are the key properties of N-(3-chloropropyl)-N-cyclobutylquinoline-2-carboxamide?
N-(3-chloropropyl)-N-cyclobutylquinoline-2-carboxamide has a molecular weight of 302.80 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropyl)-N-cyclobutylquinoline-2-carboxamide is sourced from PubChem (CID 102872000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).