ethyl 2-amino-1-naphthalen-2-ylpyrrolo[3,2-b]quinoxaline-3-carboxylate

C23H18N4O2 — CID 1180696

IUPACethyl 2-amino-1-naphthalen-2-ylpyrrolo[3,2-b]quinoxaline-3-carboxylate
SMILESCCOC(=O)c1c(N)n(-c2ccc3ccccc3c2)c2nc3ccccc3nc12
InChIInChI=1S/C23H18N4O2/c1-2-29-23(28)19-20-22(26-18-10-6-5-9-17(18)25-20)27(21(19)24)16-12-11-14-7-3-4-8-15(14)13-16/h3-13H,2,24H2,1H3
InChIKeyFIPNEDOLYRLLSL-UHFFFAOYSA-N
MW382.42 g/mol
LogP4.49
Rot. Bonds3

About ethyl 2-amino-1-naphthalen-2-ylpyrrolo[3,2-b]quinoxaline-3-carboxylate

ethyl 2-amino-1-naphthalen-2-ylpyrrolo[3,2-b]quinoxaline-3-carboxylate (PubChem CID 1180696) has the molecular formula C23H18N4O2 and a molecular weight of 382.42 g/mol. Its IUPAC name is ethyl 2-amino-1-naphthalen-2-ylpyrrolo[3,2-b]quinoxaline-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-1-naphthalen-2-ylpyrrolo[3,2-b]quinoxaline-3-carboxylate
PubChem CID1180696
Molecular FormulaC23H18N4O2
Molecular Weight382.42 g/mol
Exact Mass382.14
IUPAC Nameethyl 2-amino-1-naphthalen-2-ylpyrrolo[3,2-b]quinoxaline-3-carboxylate
SMILESCCOC(=O)c1c(N)n(-c2ccc3ccccc3c2)c2nc3ccccc3nc12
InChIInChI=1S/C23H18N4O2/c1-2-29-23(28)19-20-22(26-18-10-6-5-9-17(18)25-20)27(21(19)24)16-12-11-14-7-3-4-8-15(14)13-16/h3-13H,2,24H2,1H3
InChIKeyFIPNEDOLYRLLSL-UHFFFAOYSA-N
XLogP4.49
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-1-naphthalen-2-ylpyrrolo[3,2-b]quinoxaline-3-carboxylate?
The IUPAC name of ethyl 2-amino-1-naphthalen-2-ylpyrrolo[3,2-b]quinoxaline-3-carboxylate (CID 1180696) is ethyl 2-amino-1-naphthalen-2-ylpyrrolo[3,2-b]quinoxaline-3-carboxylate.
What is the SMILES notation for ethyl 2-amino-1-naphthalen-2-ylpyrrolo[3,2-b]quinoxaline-3-carboxylate?
The canonical SMILES for ethyl 2-amino-1-naphthalen-2-ylpyrrolo[3,2-b]quinoxaline-3-carboxylate is CCOC(=O)c1c(N)n(-c2ccc3ccccc3c2)c2nc3ccccc3nc12.
What is the InChIKey of ethyl 2-amino-1-naphthalen-2-ylpyrrolo[3,2-b]quinoxaline-3-carboxylate?
The InChIKey is FIPNEDOLYRLLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O2/c1-2-29-23(28)19-20-22(26-18-10-6-5-9-17(18)25-20)27(21(19)24)16-12-11-14-7-3-4-8-15(14)13-16/h3-13H,2,24H2,1H3.
What are the key properties of ethyl 2-amino-1-naphthalen-2-ylpyrrolo[3,2-b]quinoxaline-3-carboxylate?
ethyl 2-amino-1-naphthalen-2-ylpyrrolo[3,2-b]quinoxaline-3-carboxylate has a molecular weight of 382.42 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-1-naphthalen-2-ylpyrrolo[3,2-b]quinoxaline-3-carboxylate is sourced from PubChem (CID 1180696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).