ethyl 2-amino-1-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrolo[3,2-b]quinoxaline-3-carboxylate

C23H22N4O2 — CID 2340669

IUPACethyl 2-amino-1-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
SMILESCCOC(=O)c1c(N)n(-c2cccc3c2CCCC3)c2nc3ccccc3nc12
InChIInChI=1S/C23H22N4O2/c1-2-29-23(28)19-20-22(26-17-12-6-5-11-16(17)25-20)27(21(19)24)18-13-7-9-14-8-3-4-10-15(14)18/h5-7,9,11-13H,2-4,8,10,24H2,1H3
InChIKeyBOLMQRDGSZRFSB-UHFFFAOYSA-N
MW386.46 g/mol
LogP4.21
Rot. Bonds3

About ethyl 2-amino-1-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrolo[3,2-b]quinoxaline-3-carboxylate

ethyl 2-amino-1-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrolo[3,2-b]quinoxaline-3-carboxylate (PubChem CID 2340669) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is ethyl 2-amino-1-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrolo[3,2-b]quinoxaline-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-1-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
PubChem CID2340669
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC Nameethyl 2-amino-1-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
SMILESCCOC(=O)c1c(N)n(-c2cccc3c2CCCC3)c2nc3ccccc3nc12
InChIInChI=1S/C23H22N4O2/c1-2-29-23(28)19-20-22(26-17-12-6-5-11-16(17)25-20)27(21(19)24)18-13-7-9-14-8-3-4-10-15(14)18/h5-7,9,11-13H,2-4,8,10,24H2,1H3
InChIKeyBOLMQRDGSZRFSB-UHFFFAOYSA-N
XLogP4.21
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 54.21
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-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrolo[3,2-b]quinoxaline-3-carboxylate?
The IUPAC name of ethyl 2-amino-1-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrolo[3,2-b]quinoxaline-3-carboxylate (CID 2340669) is ethyl 2-amino-1-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrolo[3,2-b]quinoxaline-3-carboxylate.
What is the SMILES notation for ethyl 2-amino-1-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrolo[3,2-b]quinoxaline-3-carboxylate?
The canonical SMILES for ethyl 2-amino-1-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrolo[3,2-b]quinoxaline-3-carboxylate is CCOC(=O)c1c(N)n(-c2cccc3c2CCCC3)c2nc3ccccc3nc12.
What is the InChIKey of ethyl 2-amino-1-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrolo[3,2-b]quinoxaline-3-carboxylate?
The InChIKey is BOLMQRDGSZRFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-2-29-23(28)19-20-22(26-17-12-6-5-11-16(17)25-20)27(21(19)24)18-13-7-9-14-8-3-4-10-15(14)18/h5-7,9,11-13H,2-4,8,10,24H2,1H3.
What are the key properties of ethyl 2-amino-1-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrolo[3,2-b]quinoxaline-3-carboxylate?
ethyl 2-amino-1-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrolo[3,2-b]quinoxaline-3-carboxylate has a molecular weight of 386.46 g/mol, XLogP of 4.21, 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-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrolo[3,2-b]quinoxaline-3-carboxylate is sourced from PubChem (CID 2340669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).