N-[(2S)-butan-2-yl]-2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetamide

C15H18N2O3 — CID 129394583

IUPACN-[(2S)-butan-2-yl]-2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetamide
SMILESCC[C@H](C)NC(=O)Cc1c(O)c2ccccc2[nH]c1=O
InChIInChI=1S/C15H18N2O3/c1-3-9(2)16-13(18)8-11-14(19)10-6-4-5-7-12(10)17-15(11)20/h4-7,9H,3,8H2,1-2H3,(H,16,18)(H2,17,19,20)/t9-/m0/s1
InChIKeyVYDCLAUTCQTNEW-VIFPVBQESA-N
MW274.32 g/mol
LogP1.69
Rot. Bonds4

About N-[(2S)-butan-2-yl]-2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetamide

N-[(2S)-butan-2-yl]-2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetamide (PubChem CID 129394583) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetamide
PubChem CID129394583
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC NameN-[(2S)-butan-2-yl]-2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetamide
SMILESCC[C@H](C)NC(=O)Cc1c(O)c2ccccc2[nH]c1=O
InChIInChI=1S/C15H18N2O3/c1-3-9(2)16-13(18)8-11-14(19)10-6-4-5-7-12(10)17-15(11)20/h4-7,9H,3,8H2,1-2H3,(H,16,18)(H2,17,19,20)/t9-/m0/s1
InChIKeyVYDCLAUTCQTNEW-VIFPVBQESA-N
XLogP1.69
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[(2S)-butan-2-yl]-2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetamide with MolForge

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Related Compounds

3-[2-(butan-2-ylamino)-2-oxoethyl]-1H-indole-2-carboxylic acid
CID 3573688
N-heptyl-2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetamide
CID 54693782
N-cyclohexyl-2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetamide
CID 54678206
N,N-dibutyl-2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetamide
CID 54706987
N-[(3-fluorophenyl)methyl]-2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetamide
CID 54693788
N-(4-hydroxybutan-2-yl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 81042798
N-butan-2-yl-2-[2-(3-fluorophenyl)sulfanyl-1H-indol-3-yl]acetamide
CID 46379077
N-butan-2-yl-3-[(2-oxo-1H-quinolin-3-yl)methylamino]propanamide
CID 119136138
N-[(2S)-butan-2-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 94065123
4-hydroxy-3-(2-morpholin-4-yl-2-oxoethyl)-1H-quinolin-2-one
CID 54697772
(4-hydroxy-2-oxo-1H-quinolin-3-yl)methyl-dipropylazanium
CID 54725203
3-[2-(butan-2-ylamino)-2-oxoethyl]-1-benzothiophene-2-carboxylic acid
CID 82364868

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetamide?
The IUPAC name of N-[(2S)-butan-2-yl]-2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetamide (CID 129394583) is N-[(2S)-butan-2-yl]-2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetamide is CC[C@H](C)NC(=O)Cc1c(O)c2ccccc2[nH]c1=O.
What is the InChIKey of N-[(2S)-butan-2-yl]-2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetamide?
The InChIKey is VYDCLAUTCQTNEW-VIFPVBQESA-N. The full InChI is InChI=1S/C15H18N2O3/c1-3-9(2)16-13(18)8-11-14(19)10-6-4-5-7-12(10)17-15(11)20/h4-7,9H,3,8H2,1-2H3,(H,16,18)(H2,17,19,20)/t9-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetamide?
N-[(2S)-butan-2-yl]-2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetamide has a molecular weight of 274.32 g/mol, XLogP of 1.69, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetamide is sourced from PubChem (CID 129394583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).