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

C14H18N2O2 — CID 4616929

IUPACN-butan-2-yl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCCC(C)NC(=O)C1CC(=O)Nc2ccccc21
InChIInChI=1S/C14H18N2O2/c1-3-9(2)15-14(18)11-8-13(17)16-12-7-5-4-6-10(11)12/h4-7,9,11H,3,8H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyKZLUGLBSRLDCHB-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.03
Rot. Bonds3

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

N-butan-2-yl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 4616929) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N-butan-2-yl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
PubChem CID4616929
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN-butan-2-yl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCCC(C)NC(=O)C1CC(=O)Nc2ccccc21
InChIInChI=1S/C14H18N2O2/c1-3-9(2)15-14(18)11-8-13(17)16-12-7-5-4-6-10(11)12/h4-7,9,11H,3,8H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyKZLUGLBSRLDCHB-UHFFFAOYSA-N
XLogP2.03
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The IUPAC name of N-butan-2-yl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (CID 4616929) is N-butan-2-yl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-butan-2-yl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The canonical SMILES for N-butan-2-yl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is CCC(C)NC(=O)C1CC(=O)Nc2ccccc21.
What is the InChIKey of N-butan-2-yl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The InChIKey is KZLUGLBSRLDCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-3-9(2)15-14(18)11-8-13(17)16-12-7-5-4-6-10(11)12/h4-7,9,11H,3,8H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of N-butan-2-yl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
N-butan-2-yl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 246.31 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 4616929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).