acenaphthyleno[1,2-b]quinoxaline-9-carboxylic acid

C19H10N2O2 — CID 626833

IUPACacenaphthyleno[1,2-b]quinoxaline-9-carboxylic acid
SMILESO=C(O)c1ccc2nc3c(nc2c1)-c1cccc2cccc-3c12
InChIInChI=1S/C19H10N2O2/c22-19(23)11-7-8-14-15(9-11)21-18-13-6-2-4-10-3-1-5-12(16(10)13)17(18)20-14/h1-9H,(H,22,23)
InChIKeyCQNYRPSEJIZKNJ-UHFFFAOYSA-N
MW298.30 g/mol
LogP4.13
Rot. Bonds1

About acenaphthyleno[1,2-b]quinoxaline-9-carboxylic acid

acenaphthyleno[1,2-b]quinoxaline-9-carboxylic acid (PubChem CID 626833) has the molecular formula C19H10N2O2 and a molecular weight of 298.30 g/mol. Its IUPAC name is acenaphthyleno[1,2-b]quinoxaline-9-carboxylic acid.

Molecular Properties

Compound Nameacenaphthyleno[1,2-b]quinoxaline-9-carboxylic acid
PubChem CID626833
Molecular FormulaC19H10N2O2
Molecular Weight298.30 g/mol
Exact Mass298.07
IUPAC Nameacenaphthyleno[1,2-b]quinoxaline-9-carboxylic acid
SMILESO=C(O)c1ccc2nc3c(nc2c1)-c1cccc2cccc-3c12
InChIInChI=1S/C19H10N2O2/c22-19(23)11-7-8-14-15(9-11)21-18-13-6-2-4-10-3-1-5-12(16(10)13)17(18)20-14/h1-9H,(H,22,23)
InChIKeyCQNYRPSEJIZKNJ-UHFFFAOYSA-N
XLogP4.13
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of acenaphthyleno[1,2-b]quinoxaline-9-carboxylic acid?
The IUPAC name of acenaphthyleno[1,2-b]quinoxaline-9-carboxylic acid (CID 626833) is acenaphthyleno[1,2-b]quinoxaline-9-carboxylic acid.
What is the SMILES notation for acenaphthyleno[1,2-b]quinoxaline-9-carboxylic acid?
The canonical SMILES for acenaphthyleno[1,2-b]quinoxaline-9-carboxylic acid is O=C(O)c1ccc2nc3c(nc2c1)-c1cccc2cccc-3c12.
What is the InChIKey of acenaphthyleno[1,2-b]quinoxaline-9-carboxylic acid?
The InChIKey is CQNYRPSEJIZKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10N2O2/c22-19(23)11-7-8-14-15(9-11)21-18-13-6-2-4-10-3-1-5-12(16(10)13)17(18)20-14/h1-9H,(H,22,23).
What are the key properties of acenaphthyleno[1,2-b]quinoxaline-9-carboxylic acid?
acenaphthyleno[1,2-b]quinoxaline-9-carboxylic acid has a molecular weight of 298.30 g/mol, XLogP of 4.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acenaphthyleno[1,2-b]quinoxaline-9-carboxylic acid is sourced from PubChem (CID 626833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).