2-chloro-N-(3-methylbutan-2-yl)quinoline-4-carboxamide

C15H17ClN2O — CID 43082670

IUPAC2-chloro-N-(3-methylbutan-2-yl)quinoline-4-carboxamide
SMILESCC(C)C(C)NC(=O)c1cc(Cl)nc2ccccc12
InChIInChI=1S/C15H17ClN2O/c1-9(2)10(3)17-15(19)12-8-14(16)18-13-7-5-4-6-11(12)13/h4-10H,1-3H3,(H,17,19)
InChIKeySYNJEKMKIKLYOG-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.66
Rot. Bonds3

About 2-chloro-N-(3-methylbutan-2-yl)quinoline-4-carboxamide

2-chloro-N-(3-methylbutan-2-yl)quinoline-4-carboxamide (PubChem CID 43082670) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 2-chloro-N-(3-methylbutan-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(3-methylbutan-2-yl)quinoline-4-carboxamide
PubChem CID43082670
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name2-chloro-N-(3-methylbutan-2-yl)quinoline-4-carboxamide
SMILESCC(C)C(C)NC(=O)c1cc(Cl)nc2ccccc12
InChIInChI=1S/C15H17ClN2O/c1-9(2)10(3)17-15(19)12-8-14(16)18-13-7-5-4-6-11(12)13/h4-10H,1-3H3,(H,17,19)
InChIKeySYNJEKMKIKLYOG-UHFFFAOYSA-N
XLogP3.66
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(methylamino)-N-(3-methylbutan-2-yl)quinoline-4-carboxamide
CID 62165979
2-chloro-N-(1-hydroxybutan-2-yl)quinoline-4-carboxamide
CID 60655129
N-butyl-2-chloroquinoline-4-carboxamide
CID 14813194
methyl 2-chloroquinoline-4-carboxylate
CID 5202936
2-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)quinoline-4-carboxamide
CID 106180063
2-chloro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]quinoline-4-carboxamide
CID 16574262
2-chloro-N-pyrrol-1-ylquinoline-4-carboxamide
CID 79099972
2-chloro-N-(5-hydroxypentyl)quinoline-4-carboxamide
CID 107317154
N-[(1R)-1-(2-chloroquinolin-4-yl)ethyl]-2-methylbenzamide
CID 171792284
2-(2,4-dimethoxyphenyl)-N-(3-methylbutan-2-yl)quinoline-4-carboxamide
CID 42749560
2-chloro-N-[1-(4-imidazol-1-ylphenyl)ethyl]quinoline-4-carboxamide
CID 18291718
2-chloro-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]quinoline-4-carboxamide
CID 55797712

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-methylbutan-2-yl)quinoline-4-carboxamide?
The IUPAC name of 2-chloro-N-(3-methylbutan-2-yl)quinoline-4-carboxamide (CID 43082670) is 2-chloro-N-(3-methylbutan-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(3-methylbutan-2-yl)quinoline-4-carboxamide?
The canonical SMILES for 2-chloro-N-(3-methylbutan-2-yl)quinoline-4-carboxamide is CC(C)C(C)NC(=O)c1cc(Cl)nc2ccccc12.
What is the InChIKey of 2-chloro-N-(3-methylbutan-2-yl)quinoline-4-carboxamide?
The InChIKey is SYNJEKMKIKLYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-9(2)10(3)17-15(19)12-8-14(16)18-13-7-5-4-6-11(12)13/h4-10H,1-3H3,(H,17,19).
What are the key properties of 2-chloro-N-(3-methylbutan-2-yl)quinoline-4-carboxamide?
2-chloro-N-(3-methylbutan-2-yl)quinoline-4-carboxamide has a molecular weight of 276.77 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-methylbutan-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 43082670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).