2-amino-N,1-bis[2-(4-fluorophenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide

C27H23F2N5O — CID 4203658

IUPAC2-amino-N,1-bis[2-(4-fluorophenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide
SMILESNc1c(C(=O)NCCc2ccc(F)cc2)c2nc3ccccc3nc2n1CCc1ccc(F)cc1
InChIInChI=1S/C27H23F2N5O/c28-19-9-5-17(6-10-19)13-15-31-27(35)23-24-26(33-22-4-2-1-3-21(22)32-24)34(25(23)30)16-14-18-7-11-20(29)12-8-18/h1-12H,13-16,30H2,(H,31,35)
InChIKeyYDEWCMLRQAQUMR-UHFFFAOYSA-N
MW471.51 g/mol
LogP4.66
Rot. Bonds7

About 2-amino-N,1-bis[2-(4-fluorophenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide

2-amino-N,1-bis[2-(4-fluorophenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide (PubChem CID 4203658) has the molecular formula C27H23F2N5O and a molecular weight of 471.51 g/mol. Its IUPAC name is 2-amino-N,1-bis[2-(4-fluorophenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide.

Molecular Properties

Compound Name2-amino-N,1-bis[2-(4-fluorophenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide
PubChem CID4203658
Molecular FormulaC27H23F2N5O
Molecular Weight471.51 g/mol
Exact Mass471.19
IUPAC Name2-amino-N,1-bis[2-(4-fluorophenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide
SMILESNc1c(C(=O)NCCc2ccc(F)cc2)c2nc3ccccc3nc2n1CCc1ccc(F)cc1
InChIInChI=1S/C27H23F2N5O/c28-19-9-5-17(6-10-19)13-15-31-27(35)23-24-26(33-22-4-2-1-3-21(22)32-24)34(25(23)30)16-14-18-7-11-20(29)12-8-18/h1-12H,13-16,30H2,(H,31,35)
InChIKeyYDEWCMLRQAQUMR-UHFFFAOYSA-N
XLogP4.66
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.51
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-N,1-bis[2-(4-fluorophenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N,1-bis[2-(3,4-dimethoxyphenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 1398575
2-amino-N-(3-methylbutyl)-1-(2-phenylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 2034456
2-amino-N,1-bis(3-phenylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 2015264
2-amino-1-dodecyl-N-[2-(4-methoxyphenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 3723011
2-amino-1-butyl-N-[2-(2-fluorophenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 23761862
2-amino-N-[2-(4-methoxyphenyl)ethyl]-1-(3-morpholin-4-ylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 23764711
2-amino-N-cyclopentyl-1-[2-(4-methoxyphenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 3770985
2-amino-1-[2-(4-methoxyphenyl)ethyl]-N-(4-methylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 2043385
2-amino-N-[2-(4-fluorophenyl)ethyl]quinazoline-4-carboxamide
CID 68506824
2-amino-1-(1,3-benzodioxol-5-ylmethyl)-N-[2-(4-methoxyphenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 2001714
2-amino-N,1-bis(3-propan-2-yloxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 2037496
2-amino-1-[2-(4-methoxyphenyl)ethyl]-N-[(2R)-6-methylheptan-2-yl]pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 41027235

Frequently Asked Questions

What is the IUPAC name of 2-amino-N,1-bis[2-(4-fluorophenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide?
The IUPAC name of 2-amino-N,1-bis[2-(4-fluorophenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide (CID 4203658) is 2-amino-N,1-bis[2-(4-fluorophenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide.
What is the SMILES notation for 2-amino-N,1-bis[2-(4-fluorophenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide?
The canonical SMILES for 2-amino-N,1-bis[2-(4-fluorophenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide is Nc1c(C(=O)NCCc2ccc(F)cc2)c2nc3ccccc3nc2n1CCc1ccc(F)cc1.
What is the InChIKey of 2-amino-N,1-bis[2-(4-fluorophenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide?
The InChIKey is YDEWCMLRQAQUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23F2N5O/c28-19-9-5-17(6-10-19)13-15-31-27(35)23-24-26(33-22-4-2-1-3-21(22)32-24)34(25(23)30)16-14-18-7-11-20(29)12-8-18/h1-12H,13-16,30H2,(H,31,35).
What are the key properties of 2-amino-N,1-bis[2-(4-fluorophenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide?
2-amino-N,1-bis[2-(4-fluorophenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide has a molecular weight of 471.51 g/mol, XLogP of 4.66, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,1-bis[2-(4-fluorophenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide is sourced from PubChem (CID 4203658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).