N-butyl-7,8-difluoro-N-methylquinoline-3-carboxamide

C15H16F2N2O — CID 110490062

IUPACN-butyl-7,8-difluoro-N-methylquinoline-3-carboxamide
SMILESCCCCN(C)C(=O)c1cnc2c(F)c(F)ccc2c1
InChIInChI=1S/C15H16F2N2O/c1-3-4-7-19(2)15(20)11-8-10-5-6-12(16)13(17)14(10)18-9-11/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyUPXAEOUSVWMDAM-UHFFFAOYSA-N
MW278.30 g/mol
LogP3.39
Rot. Bonds4

About N-butyl-7,8-difluoro-N-methylquinoline-3-carboxamide

N-butyl-7,8-difluoro-N-methylquinoline-3-carboxamide (PubChem CID 110490062) has the molecular formula C15H16F2N2O and a molecular weight of 278.30 g/mol. Its IUPAC name is N-butyl-7,8-difluoro-N-methylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-butyl-7,8-difluoro-N-methylquinoline-3-carboxamide
PubChem CID110490062
Molecular FormulaC15H16F2N2O
Molecular Weight278.30 g/mol
Exact Mass278.12
IUPAC NameN-butyl-7,8-difluoro-N-methylquinoline-3-carboxamide
SMILESCCCCN(C)C(=O)c1cnc2c(F)c(F)ccc2c1
InChIInChI=1S/C15H16F2N2O/c1-3-4-7-19(2)15(20)11-8-10-5-6-12(16)13(17)14(10)18-9-11/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyUPXAEOUSVWMDAM-UHFFFAOYSA-N
XLogP3.39
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-aminoethyl)-7,8-difluoroquinoline-3-carboxamide
CID 110490033
7,8-difluoro-N-prop-2-enylquinoline-3-carboxamide
CID 110490035
7,8-difluoro-N-(2-hydroxypropyl)quinoline-3-carboxamide
CID 110490043
N-butyl-4-fluoro-N-methyl-3-nitrobenzamide
CID 43244068
8-[hexyl(methyl)carbamoyl]-4-oxo-1H-1,10-phenanthroline-3-carboxylic acid
CID 54093561
N-butyl-2-(dipropylamino)-N-methylpyrimidine-5-carboxamide
CID 109263866
5-[butyl(methyl)carbamoyl]pyridine-2-carboxylic acid
CID 43414824
N-butyl-2-[(4-fluorophenyl)methylamino]-N-methylpyrimidine-5-carboxamide
CID 109257290
N-butyl-2-(5-chloro-2-methylanilino)-N-methylpyrimidine-5-carboxamide
CID 109263901
5-amino-N-butyl-2-fluoro-N-methylbenzamide
CID 43510775
N-butyl-N-methylpyridine-4-carboxamide;hydrochloride
CID 110756274
N-butyl-2,4-difluoro-N-methylbenzamide
CID 86978137

Frequently Asked Questions

What is the IUPAC name of N-butyl-7,8-difluoro-N-methylquinoline-3-carboxamide?
The IUPAC name of N-butyl-7,8-difluoro-N-methylquinoline-3-carboxamide (CID 110490062) is N-butyl-7,8-difluoro-N-methylquinoline-3-carboxamide.
What is the SMILES notation for N-butyl-7,8-difluoro-N-methylquinoline-3-carboxamide?
The canonical SMILES for N-butyl-7,8-difluoro-N-methylquinoline-3-carboxamide is CCCCN(C)C(=O)c1cnc2c(F)c(F)ccc2c1.
What is the InChIKey of N-butyl-7,8-difluoro-N-methylquinoline-3-carboxamide?
The InChIKey is UPXAEOUSVWMDAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2O/c1-3-4-7-19(2)15(20)11-8-10-5-6-12(16)13(17)14(10)18-9-11/h5-6,8-9H,3-4,7H2,1-2H3.
What are the key properties of N-butyl-7,8-difluoro-N-methylquinoline-3-carboxamide?
N-butyl-7,8-difluoro-N-methylquinoline-3-carboxamide has a molecular weight of 278.30 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-7,8-difluoro-N-methylquinoline-3-carboxamide is sourced from PubChem (CID 110490062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).