2-oxopropyl acenaphthyleno[1,2-b]quinoxaline-9-carboxylate

C22H14N2O3 — CID 1154611

IUPAC2-oxopropyl acenaphthyleno[1,2-b]quinoxaline-9-carboxylate
SMILESCC(=O)COC(=O)c1ccc2nc3c(nc2c1)-c1cccc2cccc-3c12
InChIInChI=1S/C22H14N2O3/c1-12(25)11-27-22(26)14-8-9-17-18(10-14)24-21-16-7-3-5-13-4-2-6-15(19(13)16)20(21)23-17/h2-10H,11H2,1H3
InChIKeyLTZZIMMFPBCDBL-UHFFFAOYSA-N
MW354.37 g/mol
LogP4.18
Rot. Bonds3

About 2-oxopropyl acenaphthyleno[1,2-b]quinoxaline-9-carboxylate

2-oxopropyl acenaphthyleno[1,2-b]quinoxaline-9-carboxylate (PubChem CID 1154611) has the molecular formula C22H14N2O3 and a molecular weight of 354.37 g/mol. Its IUPAC name is 2-oxopropyl acenaphthyleno[1,2-b]quinoxaline-9-carboxylate.

Molecular Properties

Compound Name2-oxopropyl acenaphthyleno[1,2-b]quinoxaline-9-carboxylate
PubChem CID1154611
Molecular FormulaC22H14N2O3
Molecular Weight354.37 g/mol
Exact Mass354.10
IUPAC Name2-oxopropyl acenaphthyleno[1,2-b]quinoxaline-9-carboxylate
SMILESCC(=O)COC(=O)c1ccc2nc3c(nc2c1)-c1cccc2cccc-3c12
InChIInChI=1S/C22H14N2O3/c1-12(25)11-27-22(26)14-8-9-17-18(10-14)24-21-16-7-3-5-13-4-2-6-15(19(13)16)20(21)23-17/h2-10H,11H2,1H3
InChIKeyLTZZIMMFPBCDBL-UHFFFAOYSA-N
XLogP4.18
TPSA69.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

anthracene;bis(bis(2-oxopropyl) benzene-1,3-dicarboxylate)
CID 174799198
3,7,19,23-tetrazanonacyclo[23.7.1.19,13.02,24.04,22.06,20.08,18.029,33.017,34]tetratriaconta-1(32),2,4,6(20),7,9,11,13(34),14,16,18,21,23,25,27,29(33),30-heptadecaene
CID 58122097
ethyl 1,2-dihydroxycyclobuta[b]quinoxaline-5-carboxylate
CID 135479169
2-oxopropyl 3,4-dichlorobenzoate
CID 954374
methyl 2,3-bis(2-acetyloxyphenyl)quinoxaline-6-carboxylate
CID 135017130
methyl 5,6-dioxobenzo[a]phenazine-9-carboxylate
CID 90240452
2-oxopropyl 3-(methoxymethyl)benzoate
CID 55386027
[2-(4-methylanilino)-2-oxoethyl] 2,3-bis(4-methylphenyl)quinoxaline-6-carboxylate
CID 23744301
acenaphthyleno[1,2-b]quinoxaline;acetic acid;ethane;O-methylsulfanyloxyhydroxylamine
CID 161190270
9,10-dimethylacenaphthyleno[1,2-b]quinoxaline;ethane;9-methylacenaphthyleno[1,2-b]quinoxaline
CID 159278973
[2-(naphthalen-1-ylamino)-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate
CID 23887588
[2-(2-chlorophenyl)-2-oxoethyl] 2,3-dimethylquinoxaline-6-carboxylate
CID 8656943

Frequently Asked Questions

What is the IUPAC name of 2-oxopropyl acenaphthyleno[1,2-b]quinoxaline-9-carboxylate?
The IUPAC name of 2-oxopropyl acenaphthyleno[1,2-b]quinoxaline-9-carboxylate (CID 1154611) is 2-oxopropyl acenaphthyleno[1,2-b]quinoxaline-9-carboxylate.
What is the SMILES notation for 2-oxopropyl acenaphthyleno[1,2-b]quinoxaline-9-carboxylate?
The canonical SMILES for 2-oxopropyl acenaphthyleno[1,2-b]quinoxaline-9-carboxylate is CC(=O)COC(=O)c1ccc2nc3c(nc2c1)-c1cccc2cccc-3c12.
What is the InChIKey of 2-oxopropyl acenaphthyleno[1,2-b]quinoxaline-9-carboxylate?
The InChIKey is LTZZIMMFPBCDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N2O3/c1-12(25)11-27-22(26)14-8-9-17-18(10-14)24-21-16-7-3-5-13-4-2-6-15(19(13)16)20(21)23-17/h2-10H,11H2,1H3.
What are the key properties of 2-oxopropyl acenaphthyleno[1,2-b]quinoxaline-9-carboxylate?
2-oxopropyl acenaphthyleno[1,2-b]quinoxaline-9-carboxylate has a molecular weight of 354.37 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxopropyl acenaphthyleno[1,2-b]quinoxaline-9-carboxylate is sourced from PubChem (CID 1154611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).