N-(2-methylpropyl)-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide

C14H19N3O2 — CID 2971710

IUPACN-(2-methylpropyl)-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide
SMILESCC(C)CNC(=O)CC1Nc2ccccc2NC1=O
InChIInChI=1S/C14H19N3O2/c1-9(2)8-15-13(18)7-12-14(19)17-11-6-4-3-5-10(11)16-12/h3-6,9,12,16H,7-8H2,1-2H3,(H,15,18)(H,17,19)
InChIKeyAPYJACZVYDVTDA-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.58
Rot. Bonds4

About N-(2-methylpropyl)-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide

N-(2-methylpropyl)-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide (PubChem CID 2971710) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide
PubChem CID2971710
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC NameN-(2-methylpropyl)-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide
SMILESCC(C)CNC(=O)CC1Nc2ccccc2NC1=O
InChIInChI=1S/C14H19N3O2/c1-9(2)8-15-13(18)7-12-14(19)17-11-6-4-3-5-10(11)16-12/h3-6,9,12,16H,7-8H2,1-2H3,(H,15,18)(H,17,19)
InChIKeyAPYJACZVYDVTDA-UHFFFAOYSA-N
XLogP1.58
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-Dihydroxyquinoxaline
CID 27491
4-Propanoyl-1,2,3,4-tetrahydroquinoxalin-2-one
CID 8551010
2-(3-Oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)-N-phenylacetamide
CID 2829724
1,4-Dimethylquinoxaline-2,3-dione
CID 351421
2(1H)-Quinoxalinone, 3,4-dihydro-
CID 185949
1-Methyl-1,2,3,4-tetrahydroquinoxalin-2-one
CID 21297195
N-butyl-2-(3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)acetamide
CID 2873401
3,3-Dimethyl-1,2,3,4-tetrahydroquinoxalin-2-one
CID 595203
3-Methyl-3,4-dihydroquinoxalin-2(1H)-one
CID 2763642
2-(3-oxopiperazin-2-yl)-N-phenylacetamide
CID 2955672
N-(3-methylbutyl)-N'-phenylethanediamide
CID 16193307
3,3-dimethyl-1-prop-2-enyl-4H-quinoxalin-2-one
CID 648713

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide?
The IUPAC name of N-(2-methylpropyl)-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide (CID 2971710) is N-(2-methylpropyl)-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide.
What is the SMILES notation for N-(2-methylpropyl)-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide?
The canonical SMILES for N-(2-methylpropyl)-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide is CC(C)CNC(=O)CC1Nc2ccccc2NC1=O.
What is the InChIKey of N-(2-methylpropyl)-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide?
The InChIKey is APYJACZVYDVTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-9(2)8-15-13(18)7-12-14(19)17-11-6-4-3-5-10(11)16-12/h3-6,9,12,16H,7-8H2,1-2H3,(H,15,18)(H,17,19).
What are the key properties of N-(2-methylpropyl)-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide?
N-(2-methylpropyl)-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide has a molecular weight of 261.32 g/mol, XLogP of 1.58, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide is sourced from PubChem (CID 2971710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).