3-butan-2-yl-4-(2-hydroxyacetyl)-1,3-dihydroquinoxalin-2-one

C14H18N2O3 — CID 170319947

IUPAC3-butan-2-yl-4-(2-hydroxyacetyl)-1,3-dihydroquinoxalin-2-one
SMILESCCC(C)C1C(=O)Nc2ccccc2N1C(=O)CO
InChIInChI=1S/C14H18N2O3/c1-3-9(2)13-14(19)15-10-6-4-5-7-11(10)16(13)12(18)8-17/h4-7,9,13,17H,3,8H2,1-2H3,(H,15,19)
InChIKeyKUOFFWCCOTWORC-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.38
Rot. Bonds3

About 3-butan-2-yl-4-(2-hydroxyacetyl)-1,3-dihydroquinoxalin-2-one

3-butan-2-yl-4-(2-hydroxyacetyl)-1,3-dihydroquinoxalin-2-one (PubChem CID 170319947) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-butan-2-yl-4-(2-hydroxyacetyl)-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name3-butan-2-yl-4-(2-hydroxyacetyl)-1,3-dihydroquinoxalin-2-one
PubChem CID170319947
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name3-butan-2-yl-4-(2-hydroxyacetyl)-1,3-dihydroquinoxalin-2-one
SMILESCCC(C)C1C(=O)Nc2ccccc2N1C(=O)CO
InChIInChI=1S/C14H18N2O3/c1-3-9(2)13-14(19)15-10-6-4-5-7-11(10)16(13)12(18)8-17/h4-7,9,13,17H,3,8H2,1-2H3,(H,15,19)
InChIKeyKUOFFWCCOTWORC-UHFFFAOYSA-N
XLogP1.38
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-[(2S)-butan-2-yl]-4-(4-hydroxypiperidine-1-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 177274222
3-butan-2-yl-4-(1H-pyrazole-5-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 170320096
3-butan-2-yl-4-(1H-pyrazole-4-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 170319906
(2S)-2-[(2S)-butan-2-yl]-N-[(3S)-1-methylpyrrolidin-3-yl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide
CID 177274145
2-butan-2-yl-N-(1-methylpyrrolidin-3-yl)-3-oxo-2,4-dihydroquinoxaline-1-carboxamide
CID 170319910
(2S,3S)-3-methyl-2-[[(2S)-3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-1-carbonyl]amino]pentanoic acid
CID 11920951
(3S)-4-benzoyl-3-[(2S)-butan-2-yl]-7-methylsulfonyl-1,3-dihydroquinoxalin-2-one
CID 24730389
(3S)-3-[(2S)-butan-2-yl]-7-fluoro-4-(2-hydroxyacetyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 163293028
(2S)-2-[[(2S)-2-[[(2R)-3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-1-carbonyl]amino]-3-phenylpropanoyl]amino]propanoic acid
CID 40957853
N-[2-(3-butan-2-yl-2-oxo-3,5-dihydro-1H-1,4-benzodiazepin-4-yl)-2-oxoethyl]acetamide
CID 163292715
2-butan-2-yl-1-(1-methylpyrazole-4-carbonyl)-2,4-dihydropyrido[3,4-b]pyrazin-3-one
CID 170319971
3-[(2S)-butan-2-yl]-4-(2-hydroxy-2-methylpropanoyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 175488924

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-4-(2-hydroxyacetyl)-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 3-butan-2-yl-4-(2-hydroxyacetyl)-1,3-dihydroquinoxalin-2-one (CID 170319947) is 3-butan-2-yl-4-(2-hydroxyacetyl)-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 3-butan-2-yl-4-(2-hydroxyacetyl)-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 3-butan-2-yl-4-(2-hydroxyacetyl)-1,3-dihydroquinoxalin-2-one is CCC(C)C1C(=O)Nc2ccccc2N1C(=O)CO.
What is the InChIKey of 3-butan-2-yl-4-(2-hydroxyacetyl)-1,3-dihydroquinoxalin-2-one?
The InChIKey is KUOFFWCCOTWORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-3-9(2)13-14(19)15-10-6-4-5-7-11(10)16(13)12(18)8-17/h4-7,9,13,17H,3,8H2,1-2H3,(H,15,19).
What are the key properties of 3-butan-2-yl-4-(2-hydroxyacetyl)-1,3-dihydroquinoxalin-2-one?
3-butan-2-yl-4-(2-hydroxyacetyl)-1,3-dihydroquinoxalin-2-one has a molecular weight of 262.31 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-4-(2-hydroxyacetyl)-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 170319947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).