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

C20H18N4O3 — CID 660588

IUPACmethyl 2-amino-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate
SMILESCOC(=O)c1c(N)n(Cc2ccc(OC)cc2)c2nc3ccccc3nc12
InChIInChI=1S/C20H18N4O3/c1-26-13-9-7-12(8-10-13)11-24-18(21)16(20(25)27-2)17-19(24)23-15-6-4-3-5-14(15)22-17/h3-10H,11,21H2,1-2H3
InChIKeyKDAWBLJUYFBYAJ-UHFFFAOYSA-N
MW362.39 g/mol
LogP3.01
Rot. Bonds4

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

methyl 2-amino-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate (PubChem CID 660588) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is methyl 2-amino-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate
PubChem CID660588
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC Namemethyl 2-amino-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate
SMILESCOC(=O)c1c(N)n(Cc2ccc(OC)cc2)c2nc3ccccc3nc12
InChIInChI=1S/C20H18N4O3/c1-26-13-9-7-12(8-10-13)11-24-18(21)16(20(25)27-2)17-19(24)23-15-6-4-3-5-14(15)22-17/h3-10H,11,21H2,1-2H3
InChIKeyKDAWBLJUYFBYAJ-UHFFFAOYSA-N
XLogP3.01
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate?
The IUPAC name of methyl 2-amino-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate (CID 660588) is methyl 2-amino-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate.
What is the SMILES notation for methyl 2-amino-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate?
The canonical SMILES for methyl 2-amino-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate is COC(=O)c1c(N)n(Cc2ccc(OC)cc2)c2nc3ccccc3nc12.
What is the InChIKey of methyl 2-amino-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate?
The InChIKey is KDAWBLJUYFBYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3/c1-26-13-9-7-12(8-10-13)11-24-18(21)16(20(25)27-2)17-19(24)23-15-6-4-3-5-14(15)22-17/h3-10H,11,21H2,1-2H3.
What are the key properties of methyl 2-amino-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate?
methyl 2-amino-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate has a molecular weight of 362.39 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate is sourced from PubChem (CID 660588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).