ethyl 4-hydroxy-3H-pyrido[3,2-f]quinoxaline-3-carboxylate

C14H13N3O3 — CID 54118195

IUPACethyl 4-hydroxy-3H-pyrido[3,2-f]quinoxaline-3-carboxylate
SMILESCCOC(=O)C1C=Nc2c(ccc3ncccc23)N1O
InChIInChI=1S/C14H13N3O3/c1-2-20-14(18)12-8-16-13-9-4-3-7-15-10(9)5-6-11(13)17(12)19/h3-8,12,19H,2H2,1H3
InChIKeyNLUSTZMJCCTSPD-UHFFFAOYSA-N
MW271.28 g/mol
LogP2.08
Rot. Bonds2

About ethyl 4-hydroxy-3H-pyrido[3,2-f]quinoxaline-3-carboxylate

ethyl 4-hydroxy-3H-pyrido[3,2-f]quinoxaline-3-carboxylate (PubChem CID 54118195) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is ethyl 4-hydroxy-3H-pyrido[3,2-f]quinoxaline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-hydroxy-3H-pyrido[3,2-f]quinoxaline-3-carboxylate
PubChem CID54118195
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Nameethyl 4-hydroxy-3H-pyrido[3,2-f]quinoxaline-3-carboxylate
SMILESCCOC(=O)C1C=Nc2c(ccc3ncccc23)N1O
InChIInChI=1S/C14H13N3O3/c1-2-20-14(18)12-8-16-13-9-4-3-7-15-10(9)5-6-11(13)17(12)19/h3-8,12,19H,2H2,1H3
InChIKeyNLUSTZMJCCTSPD-UHFFFAOYSA-N
XLogP2.08
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-hydroxy-3H-pyrido[3,2-f]quinoxaline-3-carboxylate?
The IUPAC name of ethyl 4-hydroxy-3H-pyrido[3,2-f]quinoxaline-3-carboxylate (CID 54118195) is ethyl 4-hydroxy-3H-pyrido[3,2-f]quinoxaline-3-carboxylate.
What is the SMILES notation for ethyl 4-hydroxy-3H-pyrido[3,2-f]quinoxaline-3-carboxylate?
The canonical SMILES for ethyl 4-hydroxy-3H-pyrido[3,2-f]quinoxaline-3-carboxylate is CCOC(=O)C1C=Nc2c(ccc3ncccc23)N1O.
What is the InChIKey of ethyl 4-hydroxy-3H-pyrido[3,2-f]quinoxaline-3-carboxylate?
The InChIKey is NLUSTZMJCCTSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-2-20-14(18)12-8-16-13-9-4-3-7-15-10(9)5-6-11(13)17(12)19/h3-8,12,19H,2H2,1H3.
What are the key properties of ethyl 4-hydroxy-3H-pyrido[3,2-f]quinoxaline-3-carboxylate?
ethyl 4-hydroxy-3H-pyrido[3,2-f]quinoxaline-3-carboxylate has a molecular weight of 271.28 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-hydroxy-3H-pyrido[3,2-f]quinoxaline-3-carboxylate is sourced from PubChem (CID 54118195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).