1-methoxypropan-2-yl 2-amino-1-(3-morpholin-4-ylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate

C22H29N5O4 — CID 4029243

IUPAC1-methoxypropan-2-yl 2-amino-1-(3-morpholin-4-ylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
SMILESCOCC(C)OC(=O)c1c(N)n(CCCN2CCOCC2)c2nc3ccccc3nc12
InChIInChI=1S/C22H29N5O4/c1-15(14-29-2)31-22(28)18-19-21(25-17-7-4-3-6-16(17)24-19)27(20(18)23)9-5-8-26-10-12-30-13-11-26/h3-4,6-7,15H,5,8-14,23H2,1-2H3
InChIKeyOPSWFIMEUZGJNO-UHFFFAOYSA-N
MW427.51 g/mol
LogP2.08
Rot. Bonds8

About 1-methoxypropan-2-yl 2-amino-1-(3-morpholin-4-ylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate

1-methoxypropan-2-yl 2-amino-1-(3-morpholin-4-ylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate (PubChem CID 4029243) has the molecular formula C22H29N5O4 and a molecular weight of 427.51 g/mol. Its IUPAC name is 1-methoxypropan-2-yl 2-amino-1-(3-morpholin-4-ylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate.

Molecular Properties

Compound Name1-methoxypropan-2-yl 2-amino-1-(3-morpholin-4-ylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
PubChem CID4029243
Molecular FormulaC22H29N5O4
Molecular Weight427.51 g/mol
Exact Mass427.22
IUPAC Name1-methoxypropan-2-yl 2-amino-1-(3-morpholin-4-ylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
SMILESCOCC(C)OC(=O)c1c(N)n(CCCN2CCOCC2)c2nc3ccccc3nc12
InChIInChI=1S/C22H29N5O4/c1-15(14-29-2)31-22(28)18-19-21(25-17-7-4-3-6-16(17)24-19)27(20(18)23)9-5-8-26-10-12-30-13-11-26/h3-4,6-7,15H,5,8-14,23H2,1-2H3
InChIKeyOPSWFIMEUZGJNO-UHFFFAOYSA-N
XLogP2.08
TPSA104.73 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-methoxypropan-2-yl 2-amino-1-(3-morpholin-4-ylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate?
The IUPAC name of 1-methoxypropan-2-yl 2-amino-1-(3-morpholin-4-ylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate (CID 4029243) is 1-methoxypropan-2-yl 2-amino-1-(3-morpholin-4-ylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate.
What is the SMILES notation for 1-methoxypropan-2-yl 2-amino-1-(3-morpholin-4-ylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate?
The canonical SMILES for 1-methoxypropan-2-yl 2-amino-1-(3-morpholin-4-ylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate is COCC(C)OC(=O)c1c(N)n(CCCN2CCOCC2)c2nc3ccccc3nc12.
What is the InChIKey of 1-methoxypropan-2-yl 2-amino-1-(3-morpholin-4-ylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate?
The InChIKey is OPSWFIMEUZGJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O4/c1-15(14-29-2)31-22(28)18-19-21(25-17-7-4-3-6-16(17)24-19)27(20(18)23)9-5-8-26-10-12-30-13-11-26/h3-4,6-7,15H,5,8-14,23H2,1-2H3.
What are the key properties of 1-methoxypropan-2-yl 2-amino-1-(3-morpholin-4-ylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate?
1-methoxypropan-2-yl 2-amino-1-(3-morpholin-4-ylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate has a molecular weight of 427.51 g/mol, XLogP of 2.08, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxypropan-2-yl 2-amino-1-(3-morpholin-4-ylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate is sourced from PubChem (CID 4029243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).