2-(6,7-dimethyl-2-oxo-3-propan-2-yl-3,4-dihydroquinoxalin-1-yl)propanoic acid

C16H22N2O3 — CID 82157200

IUPAC2-(6,7-dimethyl-2-oxo-3-propan-2-yl-3,4-dihydroquinoxalin-1-yl)propanoic acid
SMILESCc1cc2c(cc1C)N(C(C)C(=O)O)C(=O)C(C(C)C)N2
InChIInChI=1S/C16H22N2O3/c1-8(2)14-15(19)18(11(5)16(20)21)13-7-10(4)9(3)6-12(13)17-14/h6-8,11,14,17H,1-5H3,(H,20,21)
InChIKeyZHOPSLWJDZKMTD-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.56
Rot. Bonds3

About 2-(6,7-dimethyl-2-oxo-3-propan-2-yl-3,4-dihydroquinoxalin-1-yl)propanoic acid

2-(6,7-dimethyl-2-oxo-3-propan-2-yl-3,4-dihydroquinoxalin-1-yl)propanoic acid (PubChem CID 82157200) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-(6,7-dimethyl-2-oxo-3-propan-2-yl-3,4-dihydroquinoxalin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-(6,7-dimethyl-2-oxo-3-propan-2-yl-3,4-dihydroquinoxalin-1-yl)propanoic acid
PubChem CID82157200
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-(6,7-dimethyl-2-oxo-3-propan-2-yl-3,4-dihydroquinoxalin-1-yl)propanoic acid
SMILESCc1cc2c(cc1C)N(C(C)C(=O)O)C(=O)C(C(C)C)N2
InChIInChI=1S/C16H22N2O3/c1-8(2)14-15(19)18(11(5)16(20)21)13-7-10(4)9(3)6-12(13)17-14/h6-8,11,14,17H,1-5H3,(H,20,21)
InChIKeyZHOPSLWJDZKMTD-UHFFFAOYSA-N
XLogP2.56
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(6,7-dimethyl-2-oxo-3-propan-2-yl-3,4-dihydroquinoxalin-1-yl)propanoic acid with MolForge

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Related Compounds

2-(2-oxo-3-propan-2-yl-3,4-dihydroquinoxalin-1-yl)propanoic acid
CID 82157156
1-hexyl-6,7-dimethyl-3-propan-2-yl-3,4-dihydroquinoxalin-2-one
CID 82157206
6,7-dichloro-1,3-di(propan-2-yl)-3,4-dihydroquinoxalin-2-one
CID 82157709
2-(3-ethyl-6,7-difluoro-2-oxo-3,4-dihydroquinoxalin-1-yl)propanoic acid
CID 82157563
propan-2-yl 2-(2-oxo-3-propan-2-yl-3,4-dihydroquinoxalin-1-yl)propanoate
CID 110832299
1,6-dimethyl-3-propan-2-yl-3,4-dihydroquinoxalin-2-one
CID 84622977
2-(3,6,7-trimethyl-2-oxo-3,4-dihydroquinoxalin-1-yl)acetic acid
CID 82157268
2-methyl-2-(3,6,7-trimethyl-2-oxo-3,4-dihydroquinoxalin-1-yl)propanoic acid
CID 82157309
2-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)propanoic acid
CID 79180820
3,6,7-trimethyl-1-(2-methylpropyl)-3,4-dihydroquinoxalin-2-one
CID 82157291
6-chloro-1-methyl-3-propan-2-yl-3,4-dihydroquinoxalin-2-one
CID 84629259
8-bromo-1,6-dimethyl-3-propan-2-yl-3,4-dihydroquinoxalin-2-one
CID 84644433

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dimethyl-2-oxo-3-propan-2-yl-3,4-dihydroquinoxalin-1-yl)propanoic acid?
The IUPAC name of 2-(6,7-dimethyl-2-oxo-3-propan-2-yl-3,4-dihydroquinoxalin-1-yl)propanoic acid (CID 82157200) is 2-(6,7-dimethyl-2-oxo-3-propan-2-yl-3,4-dihydroquinoxalin-1-yl)propanoic acid.
What is the SMILES notation for 2-(6,7-dimethyl-2-oxo-3-propan-2-yl-3,4-dihydroquinoxalin-1-yl)propanoic acid?
The canonical SMILES for 2-(6,7-dimethyl-2-oxo-3-propan-2-yl-3,4-dihydroquinoxalin-1-yl)propanoic acid is Cc1cc2c(cc1C)N(C(C)C(=O)O)C(=O)C(C(C)C)N2.
What is the InChIKey of 2-(6,7-dimethyl-2-oxo-3-propan-2-yl-3,4-dihydroquinoxalin-1-yl)propanoic acid?
The InChIKey is ZHOPSLWJDZKMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-8(2)14-15(19)18(11(5)16(20)21)13-7-10(4)9(3)6-12(13)17-14/h6-8,11,14,17H,1-5H3,(H,20,21).
What are the key properties of 2-(6,7-dimethyl-2-oxo-3-propan-2-yl-3,4-dihydroquinoxalin-1-yl)propanoic acid?
2-(6,7-dimethyl-2-oxo-3-propan-2-yl-3,4-dihydroquinoxalin-1-yl)propanoic acid has a molecular weight of 290.36 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dimethyl-2-oxo-3-propan-2-yl-3,4-dihydroquinoxalin-1-yl)propanoic acid is sourced from PubChem (CID 82157200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).