N-[(2S)-butan-2-yl]-2-oxo-1H-quinoline-4-carboxamide

C14H16N2O2 — CID 94065123

IUPACN-[(2S)-butan-2-yl]-2-oxo-1H-quinoline-4-carboxamide
SMILESCC[C@H](C)NC(=O)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C14H16N2O2/c1-3-9(2)15-14(18)11-8-13(17)16-12-7-5-4-6-10(11)12/h4-9H,3H2,1-2H3,(H,15,18)(H,16,17)/t9-/m0/s1
InChIKeyVYIOLFVCUBREFM-VIFPVBQESA-N
MW244.29 g/mol
LogP2.06
Rot. Bonds3

About N-[(2S)-butan-2-yl]-2-oxo-1H-quinoline-4-carboxamide

N-[(2S)-butan-2-yl]-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 94065123) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-2-oxo-1H-quinoline-4-carboxamide
PubChem CID94065123
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC NameN-[(2S)-butan-2-yl]-2-oxo-1H-quinoline-4-carboxamide
SMILESCC[C@H](C)NC(=O)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C14H16N2O2/c1-3-9(2)15-14(18)11-8-13(17)16-12-7-5-4-6-10(11)12/h4-9H,3H2,1-2H3,(H,15,18)(H,16,17)/t9-/m0/s1
InChIKeyVYIOLFVCUBREFM-VIFPVBQESA-N
XLogP2.06
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-1-aminopropan-2-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 104872786
2-oxo-N-pent-4-yn-2-yl-1H-quinoline-4-carboxamide
CID 115661928
N-(3-methylbutan-2-yl)-2-oxo-1H-quinoline-4-carboxamide
CID 75409323
N-butan-2-yl-8-methyl-2-oxo-1H-quinoline-4-carboxamide
CID 53016620
N-(1-amino-4-methylpentan-2-yl)-2-oxo-1H-quinoline-4-carboxamide
CID 63887542
N-butan-2-yl-1H-indole-3-carboxamide
CID 43399203
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 2579582
2-oxo-1H-quinoline-4-carbohydrazide
CID 676699
N-(2-ethylphenyl)-2-oxo-1H-quinoline-4-carboxamide
CID 6456887
2-oxo-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]-1H-quinoline-4-carboxamide
CID 94813358
methanamine;2-oxo-1H-quinoline-4-carboxylic acid
CID 143703164
N-[2-(methylamino)-2-oxoethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 2542774

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-2-oxo-1H-quinoline-4-carboxamide?
The IUPAC name of N-[(2S)-butan-2-yl]-2-oxo-1H-quinoline-4-carboxamide (CID 94065123) is N-[(2S)-butan-2-yl]-2-oxo-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-2-oxo-1H-quinoline-4-carboxamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-2-oxo-1H-quinoline-4-carboxamide is CC[C@H](C)NC(=O)c1cc(=O)[nH]c2ccccc12.
What is the InChIKey of N-[(2S)-butan-2-yl]-2-oxo-1H-quinoline-4-carboxamide?
The InChIKey is VYIOLFVCUBREFM-VIFPVBQESA-N. The full InChI is InChI=1S/C14H16N2O2/c1-3-9(2)15-14(18)11-8-13(17)16-12-7-5-4-6-10(11)12/h4-9H,3H2,1-2H3,(H,15,18)(H,16,17)/t9-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-2-oxo-1H-quinoline-4-carboxamide?
N-[(2S)-butan-2-yl]-2-oxo-1H-quinoline-4-carboxamide has a molecular weight of 244.29 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 94065123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).