2-amino-N-(furan-2-ylmethyl)-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide

C24H21N5O3 — CID 2426783

IUPAC2-amino-N-(furan-2-ylmethyl)-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide
SMILESCOc1ccc(Cn2c(N)c(C(=O)NCc3ccco3)c3nc4ccccc4nc32)cc1
InChIInChI=1S/C24H21N5O3/c1-31-16-10-8-15(9-11-16)14-29-22(25)20(24(30)26-13-17-5-4-12-32-17)21-23(29)28-19-7-3-2-6-18(19)27-21/h2-12H,13-14,25H2,1H3,(H,26,30)
InChIKeyMPYWRQURLVGNED-UHFFFAOYSA-N
MW427.46 g/mol
LogP3.75
Rot. Bonds6

About 2-amino-N-(furan-2-ylmethyl)-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide

2-amino-N-(furan-2-ylmethyl)-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide (PubChem CID 2426783) has the molecular formula C24H21N5O3 and a molecular weight of 427.46 g/mol. Its IUPAC name is 2-amino-N-(furan-2-ylmethyl)-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-(furan-2-ylmethyl)-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide
PubChem CID2426783
Molecular FormulaC24H21N5O3
Molecular Weight427.46 g/mol
Exact Mass427.16
IUPAC Name2-amino-N-(furan-2-ylmethyl)-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide
SMILESCOc1ccc(Cn2c(N)c(C(=O)NCc3ccco3)c3nc4ccccc4nc32)cc1
InChIInChI=1S/C24H21N5O3/c1-31-16-10-8-15(9-11-16)14-29-22(25)20(24(30)26-13-17-5-4-12-32-17)21-23(29)28-19-7-3-2-6-18(19)27-21/h2-12H,13-14,25H2,1H3,(H,26,30)
InChIKeyMPYWRQURLVGNED-UHFFFAOYSA-N
XLogP3.75
TPSA108.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-amino-N-(furan-2-ylmethyl)-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 918932
2-amino-1-[(E)-furan-2-ylmethylideneamino]-N-[(4-methoxyphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 6880844
2-amino-N-[(4-methoxyphenyl)methyl]-1-(2-piperidin-1-ylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 23994247
2-amino-1-(1,3-benzodioxol-5-ylmethyl)-N-[2-(4-methoxyphenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 2001714
2-amino-1-(1,3-benzodioxol-5-ylmethyl)-N-(4-methoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 2331183
1-methoxypropan-2-yl 2-amino-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 3817929
2-amino-1-dodecyl-N-[2-(4-methoxyphenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 3723011
14-ethyl-13-(furan-2-ylmethyl)-17-[(4-methoxyphenyl)methyl]-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one
CID 2003194
2-amino-N-[2-(4-methoxyphenyl)ethyl]-1-(3-morpholin-4-ylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 23764711
2-amino-1-[2-(4-methoxyphenyl)ethyl]-N-(4-methylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 2043385
N-(furan-2-ylmethyl)-3-[(4-methoxyphenyl)methyl]-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 15995150
6-N-(furan-2-ylmethyl)-2-N-[2-(4-methoxyphenyl)ethyl]pyridine-2,6-dicarboxamide
CID 109097100

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(furan-2-ylmethyl)-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide?
The IUPAC name of 2-amino-N-(furan-2-ylmethyl)-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide (CID 2426783) is 2-amino-N-(furan-2-ylmethyl)-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide.
What is the SMILES notation for 2-amino-N-(furan-2-ylmethyl)-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide?
The canonical SMILES for 2-amino-N-(furan-2-ylmethyl)-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide is COc1ccc(Cn2c(N)c(C(=O)NCc3ccco3)c3nc4ccccc4nc32)cc1.
What is the InChIKey of 2-amino-N-(furan-2-ylmethyl)-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide?
The InChIKey is MPYWRQURLVGNED-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O3/c1-31-16-10-8-15(9-11-16)14-29-22(25)20(24(30)26-13-17-5-4-12-32-17)21-23(29)28-19-7-3-2-6-18(19)27-21/h2-12H,13-14,25H2,1H3,(H,26,30).
What are the key properties of 2-amino-N-(furan-2-ylmethyl)-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide?
2-amino-N-(furan-2-ylmethyl)-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide has a molecular weight of 427.46 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(furan-2-ylmethyl)-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide is sourced from PubChem (CID 2426783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).