N-(4-chloro-1-methoxybutan-2-yl)quinoline-2-carboxamide

C15H17ClN2O2 — CID 106155760

IUPACN-(4-chloro-1-methoxybutan-2-yl)quinoline-2-carboxamide
SMILESCOCC(CCCl)NC(=O)c1ccc2ccccc2n1
InChIInChI=1S/C15H17ClN2O2/c1-20-10-12(8-9-16)17-15(19)14-7-6-11-4-2-3-5-13(11)18-14/h2-7,12H,8-10H2,1H3,(H,17,19)
InChIKeyWOVIGYGNKJREFZ-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.61
Rot. Bonds6

About N-(4-chloro-1-methoxybutan-2-yl)quinoline-2-carboxamide

N-(4-chloro-1-methoxybutan-2-yl)quinoline-2-carboxamide (PubChem CID 106155760) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is N-(4-chloro-1-methoxybutan-2-yl)quinoline-2-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-1-methoxybutan-2-yl)quinoline-2-carboxamide
PubChem CID106155760
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC NameN-(4-chloro-1-methoxybutan-2-yl)quinoline-2-carboxamide
SMILESCOCC(CCCl)NC(=O)c1ccc2ccccc2n1
InChIInChI=1S/C15H17ClN2O2/c1-20-10-12(8-9-16)17-15(19)14-7-6-11-4-2-3-5-13(11)18-14/h2-7,12H,8-10H2,1H3,(H,17,19)
InChIKeyWOVIGYGNKJREFZ-UHFFFAOYSA-N
XLogP2.61
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chloro-1-methoxybutan-2-yl)pyridine-2-carboxamide
CID 106155771
N-(1-chloro-4,4-dimethylpentan-3-yl)quinoline-2-carboxamide
CID 106355670
N-(4-chloro-1-methoxybutan-2-yl)benzamide
CID 106154813
N-(2-chloro-3-methoxypropyl)quinoline-2-carboxamide
CID 114298870
N-(2-methoxyethoxy)quinoline-2-carboxamide
CID 79676009
N-(4-chloro-2-methylbutyl)quinoline-2-carboxamide
CID 114306159
N-(4-chloro-1-methoxybutan-2-yl)-2-naphthalen-2-ylacetamide
CID 106155528
N-(5-methylhexan-2-yl)quinoline-2-carboxamide
CID 24554913
4-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)quinoline-2-carboxamide
CID 106153342
N-(4-chloro-1-methoxybutan-2-yl)quinoline-8-carboxamide
CID 106155330
N-(1-amino-4-methylpentan-2-yl)quinoline-2-carboxamide
CID 63754723
N-(4-chloro-1-methoxybutan-2-yl)-1-benzofuran-3-carboxamide
CID 106155716

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-1-methoxybutan-2-yl)quinoline-2-carboxamide?
The IUPAC name of N-(4-chloro-1-methoxybutan-2-yl)quinoline-2-carboxamide (CID 106155760) is N-(4-chloro-1-methoxybutan-2-yl)quinoline-2-carboxamide.
What is the SMILES notation for N-(4-chloro-1-methoxybutan-2-yl)quinoline-2-carboxamide?
The canonical SMILES for N-(4-chloro-1-methoxybutan-2-yl)quinoline-2-carboxamide is COCC(CCCl)NC(=O)c1ccc2ccccc2n1.
What is the InChIKey of N-(4-chloro-1-methoxybutan-2-yl)quinoline-2-carboxamide?
The InChIKey is WOVIGYGNKJREFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-20-10-12(8-9-16)17-15(19)14-7-6-11-4-2-3-5-13(11)18-14/h2-7,12H,8-10H2,1H3,(H,17,19).
What are the key properties of N-(4-chloro-1-methoxybutan-2-yl)quinoline-2-carboxamide?
N-(4-chloro-1-methoxybutan-2-yl)quinoline-2-carboxamide has a molecular weight of 292.77 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-1-methoxybutan-2-yl)quinoline-2-carboxamide is sourced from PubChem (CID 106155760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).