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

C23H24N4O4 — CID 3817929

IUPAC1-methoxypropan-2-yl 2-amino-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate
SMILESCOCC(C)OC(=O)c1c(N)n(Cc2ccc(OC)cc2)c2nc3ccccc3nc12
InChIInChI=1S/C23H24N4O4/c1-14(13-29-2)31-23(28)19-20-22(26-18-7-5-4-6-17(18)25-20)27(21(19)24)12-15-8-10-16(30-3)11-9-15/h4-11,14H,12-13,24H2,1-3H3
InChIKeyUUEKSQUCPALPSX-UHFFFAOYSA-N
MW420.47 g/mol
LogP3.42
Rot. Bonds7

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

1-methoxypropan-2-yl 2-amino-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate (PubChem CID 3817929) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is 1-methoxypropan-2-yl 2-amino-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate.

Molecular Properties

Compound Name1-methoxypropan-2-yl 2-amino-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate
PubChem CID3817929
Molecular FormulaC23H24N4O4
Molecular Weight420.47 g/mol
Exact Mass420.18
IUPAC Name1-methoxypropan-2-yl 2-amino-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate
SMILESCOCC(C)OC(=O)c1c(N)n(Cc2ccc(OC)cc2)c2nc3ccccc3nc12
InChIInChI=1S/C23H24N4O4/c1-14(13-29-2)31-23(28)19-20-22(26-18-7-5-4-6-17(18)25-20)27(21(19)24)12-15-8-10-16(30-3)11-9-15/h4-11,14H,12-13,24H2,1-3H3
InChIKeyUUEKSQUCPALPSX-UHFFFAOYSA-N
XLogP3.42
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-methoxypropan-2-yl 2-amino-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate?
The IUPAC name of 1-methoxypropan-2-yl 2-amino-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate (CID 3817929) is 1-methoxypropan-2-yl 2-amino-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate.
What is the SMILES notation for 1-methoxypropan-2-yl 2-amino-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate?
The canonical SMILES for 1-methoxypropan-2-yl 2-amino-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate is COCC(C)OC(=O)c1c(N)n(Cc2ccc(OC)cc2)c2nc3ccccc3nc12.
What is the InChIKey of 1-methoxypropan-2-yl 2-amino-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate?
The InChIKey is UUEKSQUCPALPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4/c1-14(13-29-2)31-23(28)19-20-22(26-18-7-5-4-6-17(18)25-20)27(21(19)24)12-15-8-10-16(30-3)11-9-15/h4-11,14H,12-13,24H2,1-3H3.
What are the key properties of 1-methoxypropan-2-yl 2-amino-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate?
1-methoxypropan-2-yl 2-amino-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate has a molecular weight of 420.47 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxypropan-2-yl 2-amino-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate is sourced from PubChem (CID 3817929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).