2-chloro-N-cyclobutyl-N-methylquinoline-4-carboxamide

C15H15ClN2O — CID 115649170

IUPAC2-chloro-N-cyclobutyl-N-methylquinoline-4-carboxamide
SMILESCN(C(=O)c1cc(Cl)nc2ccccc12)C1CCC1
InChIInChI=1S/C15H15ClN2O/c1-18(10-5-4-6-10)15(19)12-9-14(16)17-13-8-3-2-7-11(12)13/h2-3,7-10H,4-6H2,1H3
InChIKeyJXYNWHQTBXDAPQ-UHFFFAOYSA-N
MW274.75 g/mol
LogP3.51
Rot. Bonds2

About 2-chloro-N-cyclobutyl-N-methylquinoline-4-carboxamide

2-chloro-N-cyclobutyl-N-methylquinoline-4-carboxamide (PubChem CID 115649170) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is 2-chloro-N-cyclobutyl-N-methylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-cyclobutyl-N-methylquinoline-4-carboxamide
PubChem CID115649170
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC Name2-chloro-N-cyclobutyl-N-methylquinoline-4-carboxamide
SMILESCN(C(=O)c1cc(Cl)nc2ccccc12)C1CCC1
InChIInChI=1S/C15H15ClN2O/c1-18(10-5-4-6-10)15(19)12-9-14(16)17-13-8-3-2-7-11(12)13/h2-3,7-10H,4-6H2,1H3
InChIKeyJXYNWHQTBXDAPQ-UHFFFAOYSA-N
XLogP3.51
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-cycloheptyl-2-cyclopropyl-N-methylquinoline-4-carboxamide
CID 55469564
2-amino-N-cyclopropyl-N-methylquinoline-4-carboxamide
CID 62156130
N-cyclopentyl-N-methyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 51268285
(2-chloroquinolin-4-yl)-(2,6-dimethylpiperidin-1-yl)methanone
CID 43319697
2-chloro-N,N-dipropylquinoline-4-carboxamide
CID 11426314
2-chloro-N-(1-hydroxypropan-2-yl)-N-methylquinoline-4-carboxamide
CID 104551638
1-chloro-N-cyclobutyl-N-methylisoquinoline-3-carboxamide
CID 115649159
2-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]-N-(2-methylpropyl)quinoline-4-carboxamide
CID 39902798
2-(furan-2-yl)-N-methyl-N-(1-methylpiperidin-4-yl)quinoline-4-carboxamide
CID 2390768
methyl 2-chloroquinoline-4-carboxylate
CID 5202936
2,6-dichloro-N-cyclohexyl-N-methylpyridine-4-carboxamide
CID 43235774
(4-methylcyclohexyl) 2-chloroquinoline-4-carboxylate
CID 60642151

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclobutyl-N-methylquinoline-4-carboxamide?
The IUPAC name of 2-chloro-N-cyclobutyl-N-methylquinoline-4-carboxamide (CID 115649170) is 2-chloro-N-cyclobutyl-N-methylquinoline-4-carboxamide.
What is the SMILES notation for 2-chloro-N-cyclobutyl-N-methylquinoline-4-carboxamide?
The canonical SMILES for 2-chloro-N-cyclobutyl-N-methylquinoline-4-carboxamide is CN(C(=O)c1cc(Cl)nc2ccccc12)C1CCC1.
What is the InChIKey of 2-chloro-N-cyclobutyl-N-methylquinoline-4-carboxamide?
The InChIKey is JXYNWHQTBXDAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O/c1-18(10-5-4-6-10)15(19)12-9-14(16)17-13-8-3-2-7-11(12)13/h2-3,7-10H,4-6H2,1H3.
What are the key properties of 2-chloro-N-cyclobutyl-N-methylquinoline-4-carboxamide?
2-chloro-N-cyclobutyl-N-methylquinoline-4-carboxamide has a molecular weight of 274.75 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclobutyl-N-methylquinoline-4-carboxamide is sourced from PubChem (CID 115649170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).