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

C23H18FN5O2 — CID 660845

IUPAC2-amino-1-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
SMILESNc1c(C(=O)NCc2ccco2)c2nc3ccccc3nc2n1Cc1ccc(F)cc1
InChIInChI=1S/C23H18FN5O2/c24-15-9-7-14(8-10-15)13-29-21(25)19(23(30)26-12-16-4-3-11-31-16)20-22(29)28-18-6-2-1-5-17(18)27-20/h1-11H,12-13,25H2,(H,26,30)
InChIKeyYSENULRQYGIRHS-UHFFFAOYSA-N
MW415.43 g/mol
LogP3.88
Rot. Bonds5

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

2-amino-1-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide (PubChem CID 660845) has the molecular formula C23H18FN5O2 and a molecular weight of 415.43 g/mol. Its IUPAC name is 2-amino-1-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide.

Molecular Properties

Compound Name2-amino-1-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
PubChem CID660845
Molecular FormulaC23H18FN5O2
Molecular Weight415.43 g/mol
Exact Mass415.14
IUPAC Name2-amino-1-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
SMILESNc1c(C(=O)NCc2ccco2)c2nc3ccccc3nc2n1Cc1ccc(F)cc1
InChIInChI=1S/C23H18FN5O2/c24-15-9-7-14(8-10-15)13-29-21(25)19(23(30)26-12-16-4-3-11-31-16)20-22(29)28-18-6-2-1-5-17(18)27-20/h1-11H,12-13,25H2,(H,26,30)
InChIKeyYSENULRQYGIRHS-UHFFFAOYSA-N
XLogP3.88
TPSA98.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.43
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

AC1903
CID 667146
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6-Furan-2-yl-9-phenethyl-9H-purin-2-ylamine
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9-benzyl-6-(furan-2-yl)-9H-purin-2-amine
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CID 9949541
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CID 10269215
2-amino-6-(furan-2-yl)-N-[(3-methylphenyl)methyl]purine-9-carboxamide
CID 10269216
2-amino-N-[(4-fluorophenyl)methyl]-6-(furan-2-yl)purine-9-carboxamide
CID 10269418
N-{[3-(Aminomethyl)furan-2-yl]methyl}-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 53325426
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CID 1084944

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide?
The IUPAC name of 2-amino-1-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide (CID 660845) is 2-amino-1-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide.
What is the SMILES notation for 2-amino-1-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide?
The canonical SMILES for 2-amino-1-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide is Nc1c(C(=O)NCc2ccco2)c2nc3ccccc3nc2n1Cc1ccc(F)cc1.
What is the InChIKey of 2-amino-1-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide?
The InChIKey is YSENULRQYGIRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN5O2/c24-15-9-7-14(8-10-15)13-29-21(25)19(23(30)26-12-16-4-3-11-31-16)20-22(29)28-18-6-2-1-5-17(18)27-20/h1-11H,12-13,25H2,(H,26,30).
What are the key properties of 2-amino-1-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide?
2-amino-1-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide has a molecular weight of 415.43 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide is sourced from PubChem (CID 660845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).