N-(3-methylbutan-2-yl)-2-oxo-1H-quinoline-4-carboxamide

C15H18N2O2 — CID 75409323

IUPACN-(3-methylbutan-2-yl)-2-oxo-1H-quinoline-4-carboxamide
SMILESCC(C)C(C)NC(=O)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C15H18N2O2/c1-9(2)10(3)16-15(19)12-8-14(18)17-13-7-5-4-6-11(12)13/h4-10H,1-3H3,(H,16,19)(H,17,18)
InChIKeyWTBFBDFNKSGHFM-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.30
Rot. Bonds3

About N-(3-methylbutan-2-yl)-2-oxo-1H-quinoline-4-carboxamide

N-(3-methylbutan-2-yl)-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 75409323) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is N-(3-methylbutan-2-yl)-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutan-2-yl)-2-oxo-1H-quinoline-4-carboxamide
PubChem CID75409323
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC NameN-(3-methylbutan-2-yl)-2-oxo-1H-quinoline-4-carboxamide
SMILESCC(C)C(C)NC(=O)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C15H18N2O2/c1-9(2)10(3)16-15(19)12-8-14(18)17-13-7-5-4-6-11(12)13/h4-10H,1-3H3,(H,16,19)(H,17,18)
InChIKeyWTBFBDFNKSGHFM-UHFFFAOYSA-N
XLogP2.30
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-butan-2-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 94065123
N-[(2R)-1-aminopropan-2-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 104872786
N-(1-amino-4-methylpentan-2-yl)-2-oxo-1H-quinoline-4-carboxamide
CID 63887542
2-oxo-N-pent-4-yn-2-yl-1H-quinoline-4-carboxamide
CID 115661928
2-oxo-1H-quinoline-4-carbohydrazide
CID 676699
N-(2-bromo-4-methylphenyl)-2-oxo-1H-quinoline-4-carboxamide
CID 7545590
2-oxo-N-[1-(2-pyrazol-1-ylphenyl)ethyl]-1H-quinoline-4-carboxamide
CID 72873584
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 2579582
N-[3-(dimethylamino)propyl]-2-oxo-1H-quinoline-4-carboxamide
CID 110694434
methanamine;2-oxo-1H-quinoline-4-carboxylic acid
CID 143703164
N-[2-(methylamino)-2-oxoethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 2542774
1-N,2-N-bis[(2R)-3-methylbutan-2-yl]benzene-1,2-dicarboxamide
CID 786717

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutan-2-yl)-2-oxo-1H-quinoline-4-carboxamide?
The IUPAC name of N-(3-methylbutan-2-yl)-2-oxo-1H-quinoline-4-carboxamide (CID 75409323) is N-(3-methylbutan-2-yl)-2-oxo-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-(3-methylbutan-2-yl)-2-oxo-1H-quinoline-4-carboxamide?
The canonical SMILES for N-(3-methylbutan-2-yl)-2-oxo-1H-quinoline-4-carboxamide is CC(C)C(C)NC(=O)c1cc(=O)[nH]c2ccccc12.
What is the InChIKey of N-(3-methylbutan-2-yl)-2-oxo-1H-quinoline-4-carboxamide?
The InChIKey is WTBFBDFNKSGHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-9(2)10(3)16-15(19)12-8-14(18)17-13-7-5-4-6-11(12)13/h4-10H,1-3H3,(H,16,19)(H,17,18).
What are the key properties of N-(3-methylbutan-2-yl)-2-oxo-1H-quinoline-4-carboxamide?
N-(3-methylbutan-2-yl)-2-oxo-1H-quinoline-4-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutan-2-yl)-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 75409323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).