N-(3-amino-1-benzylpyrrolo[3,2-b]quinoxalin-2-yl)furan-2-carboxamide

C22H17N5O2 — CID 70292168

IUPACN-(3-amino-1-benzylpyrrolo[3,2-b]quinoxalin-2-yl)furan-2-carboxamide
SMILESNc1c(NC(=O)c2ccco2)n(Cc2ccccc2)c2nc3ccccc3nc12
InChIInChI=1S/C22H17N5O2/c23-18-19-21(25-16-10-5-4-9-15(16)24-19)27(13-14-7-2-1-3-8-14)20(18)26-22(28)17-11-6-12-29-17/h1-12H,13,23H2,(H,26,28)
InChIKeyJVHVUEDAJNDVKK-UHFFFAOYSA-N
MW383.41 g/mol
LogP4.06
Rot. Bonds4

About N-(3-amino-1-benzylpyrrolo[3,2-b]quinoxalin-2-yl)furan-2-carboxamide

N-(3-amino-1-benzylpyrrolo[3,2-b]quinoxalin-2-yl)furan-2-carboxamide (PubChem CID 70292168) has the molecular formula C22H17N5O2 and a molecular weight of 383.41 g/mol. Its IUPAC name is N-(3-amino-1-benzylpyrrolo[3,2-b]quinoxalin-2-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(3-amino-1-benzylpyrrolo[3,2-b]quinoxalin-2-yl)furan-2-carboxamide
PubChem CID70292168
Molecular FormulaC22H17N5O2
Molecular Weight383.41 g/mol
Exact Mass383.14
IUPAC NameN-(3-amino-1-benzylpyrrolo[3,2-b]quinoxalin-2-yl)furan-2-carboxamide
SMILESNc1c(NC(=O)c2ccco2)n(Cc2ccccc2)c2nc3ccccc3nc12
InChIInChI=1S/C22H17N5O2/c23-18-19-21(25-16-10-5-4-9-15(16)24-19)27(13-14-7-2-1-3-8-14)20(18)26-22(28)17-11-6-12-29-17/h1-12H,13,23H2,(H,26,28)
InChIKeyJVHVUEDAJNDVKK-UHFFFAOYSA-N
XLogP4.06
TPSA98.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-cyano-1-prop-2-enylpyrrolo[3,2-b]quinoxalin-2-yl)furan-2-carboxamide
CID 3838457
ethyl 1-benzyl-2-[(2,4-dichlorobenzoyl)amino]pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 2327443
2-amino-N-(furan-2-ylmethyl)-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 2426783
N-[3-(4-methylphenyl)sulfonyl-1-[(1S)-1-phenylethyl]pyrrolo[3,2-b]quinoxalin-2-yl]furan-2-carboxamide
CID 987567
N-(1-benzyl-3-cyanopyrrolo[3,2-b]quinoxalin-2-yl)-3-nitrobenzamide
CID 4963098
N-phenazin-2-ylfuran-2-carboxamide
CID 73349396
N-(5-benzyl-8-methoxy-[1,2,4]triazino[5,6-b]indol-3-yl)furan-2-carboxamide
CID 6417013
N-[2-methyl-4-oxo-3-[(4-phenylphenyl)methyl]quinazolin-6-yl]furan-2-carboxamide
CID 1174102
2-amino-N-(furan-2-ylmethyl)-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 918932
2-(benzenesulfonamido)-1-benzyl-N-(2-phenylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 2067988
N-[2-benzyl-3-[(4-chlorophenyl)methyl]-4-oxoquinazolin-6-yl]furan-2-carboxamide
CID 1174108
5-bromo-N-[3-cyano-1-(2-phenylethyl)pyrrolo[3,2-b]quinoxalin-2-yl]furan-2-carboxamide
CID 2328276

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-1-benzylpyrrolo[3,2-b]quinoxalin-2-yl)furan-2-carboxamide?
The IUPAC name of N-(3-amino-1-benzylpyrrolo[3,2-b]quinoxalin-2-yl)furan-2-carboxamide (CID 70292168) is N-(3-amino-1-benzylpyrrolo[3,2-b]quinoxalin-2-yl)furan-2-carboxamide.
What is the SMILES notation for N-(3-amino-1-benzylpyrrolo[3,2-b]quinoxalin-2-yl)furan-2-carboxamide?
The canonical SMILES for N-(3-amino-1-benzylpyrrolo[3,2-b]quinoxalin-2-yl)furan-2-carboxamide is Nc1c(NC(=O)c2ccco2)n(Cc2ccccc2)c2nc3ccccc3nc12.
What is the InChIKey of N-(3-amino-1-benzylpyrrolo[3,2-b]quinoxalin-2-yl)furan-2-carboxamide?
The InChIKey is JVHVUEDAJNDVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O2/c23-18-19-21(25-16-10-5-4-9-15(16)24-19)27(13-14-7-2-1-3-8-14)20(18)26-22(28)17-11-6-12-29-17/h1-12H,13,23H2,(H,26,28).
What are the key properties of N-(3-amino-1-benzylpyrrolo[3,2-b]quinoxalin-2-yl)furan-2-carboxamide?
N-(3-amino-1-benzylpyrrolo[3,2-b]quinoxalin-2-yl)furan-2-carboxamide has a molecular weight of 383.41 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-1-benzylpyrrolo[3,2-b]quinoxalin-2-yl)furan-2-carboxamide is sourced from PubChem (CID 70292168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).