N-benzyl-N-butan-2-yl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide

C21H24N2O2 — CID 78826066

IUPACN-benzyl-N-butan-2-yl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
SMILESCCC(C)N(Cc1ccccc1)C(=O)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C21H24N2O2/c1-3-15(2)23(14-16-7-5-4-6-8-16)21(25)18-9-11-19-17(13-18)10-12-20(24)22-19/h4-9,11,13,15H,3,10,12,14H2,1-2H3,(H,22,24)
InChIKeyOBECMJHNCXEMER-UHFFFAOYSA-N
MW336.44 g/mol
LogP4.01
Rot. Bonds5

About N-benzyl-N-butan-2-yl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide

N-benzyl-N-butan-2-yl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide (PubChem CID 78826066) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-benzyl-N-butan-2-yl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-butan-2-yl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
PubChem CID78826066
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC NameN-benzyl-N-butan-2-yl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
SMILESCCC(C)N(Cc1ccccc1)C(=O)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C21H24N2O2/c1-3-15(2)23(14-16-7-5-4-6-8-16)21(25)18-9-11-19-17(13-18)10-12-20(24)22-19/h4-9,11,13,15H,3,10,12,14H2,1-2H3,(H,22,24)
InChIKeyOBECMJHNCXEMER-UHFFFAOYSA-N
XLogP4.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-2-oxoethyl)-2-oxo-N-propan-2-yl-3,4-dihydro-1H-quinoline-6-carboxamide
CID 103605877
N-methyl-N-[(4-methylphenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 18103130
N-benzyl-2-oxo-N-phenyl-1,3-dihydroindole-5-carboxamide
CID 110862596
N-(3-aminobutyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 103806261
N-benzyl-N-butan-2-yl-4-(4-methyl-2-oxo-1H-imidazol-3-yl)benzamide
CID 56575531
2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]acetic acid
CID 82480129
N-[[3-(dimethylcarbamoyl)phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 46415679
N-(1,2-diphenylethyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 46564543
benzyl(butan-2-yl)carbamic acid
CID 18954164
6-(2-propylpentanoyl)-3,4-dihydro-1H-quinolin-2-one
CID 82984767
1-benzyl-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]urea
CID 110775001
6-(3-aminobutanoyl)-3,4-dihydro-1H-quinolin-2-one
CID 116915592

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-butan-2-yl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
The IUPAC name of N-benzyl-N-butan-2-yl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide (CID 78826066) is N-benzyl-N-butan-2-yl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide.
What is the SMILES notation for N-benzyl-N-butan-2-yl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
The canonical SMILES for N-benzyl-N-butan-2-yl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide is CCC(C)N(Cc1ccccc1)C(=O)c1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of N-benzyl-N-butan-2-yl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
The InChIKey is OBECMJHNCXEMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-3-15(2)23(14-16-7-5-4-6-8-16)21(25)18-9-11-19-17(13-18)10-12-20(24)22-19/h4-9,11,13,15H,3,10,12,14H2,1-2H3,(H,22,24).
What are the key properties of N-benzyl-N-butan-2-yl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
N-benzyl-N-butan-2-yl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-butan-2-yl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide is sourced from PubChem (CID 78826066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).