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

C19H24N4O3 — CID 3563571

IUPAC1-methoxypropan-2-yl 2-amino-1-(2-methylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
SMILESCOCC(C)OC(=O)c1c(N)n(CC(C)C)c2nc3ccccc3nc12
InChIInChI=1S/C19H24N4O3/c1-11(2)9-23-17(20)15(19(24)26-12(3)10-25-4)16-18(23)22-14-8-6-5-7-13(14)21-16/h5-8,11-12H,9-10,20H2,1-4H3
InChIKeyDTQZINVQOOIXQT-UHFFFAOYSA-N
MW356.43 g/mol
LogP3.01
Rot. Bonds6

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

1-methoxypropan-2-yl 2-amino-1-(2-methylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate (PubChem CID 3563571) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 1-methoxypropan-2-yl 2-amino-1-(2-methylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate.

Molecular Properties

Compound Name1-methoxypropan-2-yl 2-amino-1-(2-methylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
PubChem CID3563571
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name1-methoxypropan-2-yl 2-amino-1-(2-methylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
SMILESCOCC(C)OC(=O)c1c(N)n(CC(C)C)c2nc3ccccc3nc12
InChIInChI=1S/C19H24N4O3/c1-11(2)9-23-17(20)15(19(24)26-12(3)10-25-4)16-18(23)22-14-8-6-5-7-13(14)21-16/h5-8,11-12H,9-10,20H2,1-4H3
InChIKeyDTQZINVQOOIXQT-UHFFFAOYSA-N
XLogP3.01
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methoxypropan-2-yl 2-amino-1-(2-methylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate?
The IUPAC name of 1-methoxypropan-2-yl 2-amino-1-(2-methylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate (CID 3563571) is 1-methoxypropan-2-yl 2-amino-1-(2-methylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate.
What is the SMILES notation for 1-methoxypropan-2-yl 2-amino-1-(2-methylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate?
The canonical SMILES for 1-methoxypropan-2-yl 2-amino-1-(2-methylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate is COCC(C)OC(=O)c1c(N)n(CC(C)C)c2nc3ccccc3nc12.
What is the InChIKey of 1-methoxypropan-2-yl 2-amino-1-(2-methylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate?
The InChIKey is DTQZINVQOOIXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-11(2)9-23-17(20)15(19(24)26-12(3)10-25-4)16-18(23)22-14-8-6-5-7-13(14)21-16/h5-8,11-12H,9-10,20H2,1-4H3.
What are the key properties of 1-methoxypropan-2-yl 2-amino-1-(2-methylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate?
1-methoxypropan-2-yl 2-amino-1-(2-methylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate has a molecular weight of 356.43 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxypropan-2-yl 2-amino-1-(2-methylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate is sourced from PubChem (CID 3563571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).