2-(2-ethyl-3-oxo-1,2,6,7,8,9-hexahydrobenzo[g]quinoxalin-4-yl)-2-methylpropanoic acid

C18H24N2O3 — CID 110832289

IUPAC2-(2-ethyl-3-oxo-1,2,6,7,8,9-hexahydrobenzo[g]quinoxalin-4-yl)-2-methylpropanoic acid
SMILESCCC1Nc2cc3c(cc2N(C(C)(C)C(=O)O)C1=O)CCCC3
InChIInChI=1S/C18H24N2O3/c1-4-13-16(21)20(18(2,3)17(22)23)15-10-12-8-6-5-7-11(12)9-14(15)19-13/h9-10,13,19H,4-8H2,1-3H3,(H,22,23)
InChIKeyZTBZVOSXHSJIMN-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.97
Rot. Bonds3

About 2-(2-ethyl-3-oxo-1,2,6,7,8,9-hexahydrobenzo[g]quinoxalin-4-yl)-2-methylpropanoic acid

2-(2-ethyl-3-oxo-1,2,6,7,8,9-hexahydrobenzo[g]quinoxalin-4-yl)-2-methylpropanoic acid (PubChem CID 110832289) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 2-(2-ethyl-3-oxo-1,2,6,7,8,9-hexahydrobenzo[g]quinoxalin-4-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(2-ethyl-3-oxo-1,2,6,7,8,9-hexahydrobenzo[g]quinoxalin-4-yl)-2-methylpropanoic acid
PubChem CID110832289
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name2-(2-ethyl-3-oxo-1,2,6,7,8,9-hexahydrobenzo[g]quinoxalin-4-yl)-2-methylpropanoic acid
SMILESCCC1Nc2cc3c(cc2N(C(C)(C)C(=O)O)C1=O)CCCC3
InChIInChI=1S/C18H24N2O3/c1-4-13-16(21)20(18(2,3)17(22)23)15-10-12-8-6-5-7-11(12)9-14(15)19-13/h9-10,13,19H,4-8H2,1-3H3,(H,22,23)
InChIKeyZTBZVOSXHSJIMN-UHFFFAOYSA-N
XLogP2.97
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(2-ethyl-3-oxo-1,2,6,7,8,9-hexahydrobenzo[g]quinoxalin-4-yl)-2-methylpropanoic acid with MolForge

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Related Compounds

2-methyl-2-(3,6,7-trimethyl-2-oxo-3,4-dihydroquinoxalin-1-yl)propanoic acid
CID 82157309
2-methyl-2-(7-methyl-6-oxo-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-5-yl)propanoic acid
CID 82157885
2-(3-ethyl-6,7-difluoro-2-oxo-3,4-dihydroquinoxalin-1-yl)propanoic acid
CID 82157563
2-(7-ethyl-6-oxo-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-5-yl)acetic acid
CID 82157911
2-methyl-2-(3-methyl-2-oxo-3,4-dihydroquinoxalin-1-yl)propanoic acid
CID 82157004
2-[2-ethyl-6-(hydroxymethyl)-3-oxo-1,4-benzoxazin-4-yl]-2-methylpropanoic acid
CID 82338377
2-[2-ethyl-7-(hydroxymethyl)-3-oxo-1,4-benzoxazin-4-yl]-2-methylpropanoic acid
CID 82338594
(2S)-2-ethyl-4-heptyl-3-oxo-2,5-dihydro-1H-1,4-benzodiazepine-7-carboxylic acid
CID 59082338
3-ethyl-1-hexyl-6,7-dimethyl-3,4-dihydroquinoxalin-2-one
CID 82157230
1-(2,3-dihydroxypropyl)-3-ethyl-6,7-difluoro-3,4-dihydroquinoxalin-2-one
CID 82157579
5-[2-(dimethylamino)ethyl]-7-ethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-6-one
CID 82157933
7-ethyl-5-propyl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-6-one
CID 82157916

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-3-oxo-1,2,6,7,8,9-hexahydrobenzo[g]quinoxalin-4-yl)-2-methylpropanoic acid?
The IUPAC name of 2-(2-ethyl-3-oxo-1,2,6,7,8,9-hexahydrobenzo[g]quinoxalin-4-yl)-2-methylpropanoic acid (CID 110832289) is 2-(2-ethyl-3-oxo-1,2,6,7,8,9-hexahydrobenzo[g]quinoxalin-4-yl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(2-ethyl-3-oxo-1,2,6,7,8,9-hexahydrobenzo[g]quinoxalin-4-yl)-2-methylpropanoic acid?
The canonical SMILES for 2-(2-ethyl-3-oxo-1,2,6,7,8,9-hexahydrobenzo[g]quinoxalin-4-yl)-2-methylpropanoic acid is CCC1Nc2cc3c(cc2N(C(C)(C)C(=O)O)C1=O)CCCC3.
What is the InChIKey of 2-(2-ethyl-3-oxo-1,2,6,7,8,9-hexahydrobenzo[g]quinoxalin-4-yl)-2-methylpropanoic acid?
The InChIKey is ZTBZVOSXHSJIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-4-13-16(21)20(18(2,3)17(22)23)15-10-12-8-6-5-7-11(12)9-14(15)19-13/h9-10,13,19H,4-8H2,1-3H3,(H,22,23).
What are the key properties of 2-(2-ethyl-3-oxo-1,2,6,7,8,9-hexahydrobenzo[g]quinoxalin-4-yl)-2-methylpropanoic acid?
2-(2-ethyl-3-oxo-1,2,6,7,8,9-hexahydrobenzo[g]quinoxalin-4-yl)-2-methylpropanoic acid has a molecular weight of 316.40 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-3-oxo-1,2,6,7,8,9-hexahydrobenzo[g]quinoxalin-4-yl)-2-methylpropanoic acid is sourced from PubChem (CID 110832289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).