2-amino-N-(4-phenylbutan-2-yl)-1-(4-propan-2-ylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide

C30H31N5O — CID 3386844

IUPAC2-amino-N-(4-phenylbutan-2-yl)-1-(4-propan-2-ylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
SMILESCC(CCc1ccccc1)NC(=O)c1c(N)n(-c2ccc(C(C)C)cc2)c2nc3ccccc3nc12
InChIInChI=1S/C30H31N5O/c1-19(2)22-15-17-23(18-16-22)35-28(31)26(27-29(35)34-25-12-8-7-11-24(25)33-27)30(36)32-20(3)13-14-21-9-5-4-6-10-21/h4-12,15-20H,13-14,31H2,1-3H3,(H,32,36)
InChIKeyUZTWAKVRIDSXIU-UHFFFAOYSA-N
MW477.61 g/mol
LogP6.03
Rot. Bonds7

About 2-amino-N-(4-phenylbutan-2-yl)-1-(4-propan-2-ylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide

2-amino-N-(4-phenylbutan-2-yl)-1-(4-propan-2-ylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide (PubChem CID 3386844) has the molecular formula C30H31N5O and a molecular weight of 477.61 g/mol. Its IUPAC name is 2-amino-N-(4-phenylbutan-2-yl)-1-(4-propan-2-ylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-(4-phenylbutan-2-yl)-1-(4-propan-2-ylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
PubChem CID3386844
Molecular FormulaC30H31N5O
Molecular Weight477.61 g/mol
Exact Mass477.25
IUPAC Name2-amino-N-(4-phenylbutan-2-yl)-1-(4-propan-2-ylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
SMILESCC(CCc1ccccc1)NC(=O)c1c(N)n(-c2ccc(C(C)C)cc2)c2nc3ccccc3nc12
InChIInChI=1S/C30H31N5O/c1-19(2)22-15-17-23(18-16-22)35-28(31)26(27-29(35)34-25-12-8-7-11-24(25)33-27)30(36)32-20(3)13-14-21-9-5-4-6-10-21/h4-12,15-20H,13-14,31H2,1-3H3,(H,32,36)
InChIKeyUZTWAKVRIDSXIU-UHFFFAOYSA-N
XLogP6.03
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.61
LogP ≤ 56.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-1-(3-chloro-4-methylphenyl)-N-[(2R)-4-phenylbutan-2-yl]pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 40838288
2-amino-1-(3-methylphenyl)-N-[(2R)-4-phenylbutan-2-yl]pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 2011188
2-amino-1-[(2-chlorophenyl)methyl]-N-[(2S)-4-phenylbutan-2-yl]pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 2020548
2-amino-1-pentyl-N-(4-phenylbutan-2-yl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 3987179
2-amino-N-[(2R)-butan-2-yl]-1-(4-iodophenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 40589200
2-amino-N-[(1R)-1-phenylethyl]-1-(4-sulfamoylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 2025838
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CID 3914627
2-amino-1-(4-bromophenyl)-N-(3-phenylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 2022990
2-amino-N-(4-phenylbutan-2-yl)-1-(pyridin-3-ylmethylideneamino)pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 3757096
2-amino-1-(1,3-benzodioxol-5-ylmethyl)-N-(4-phenylbutan-2-yl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 3698162
2-amino-1-naphthalen-2-ylpyrrolo[3,2-b]quinoxaline-3-carbohydrazide
CID 2322043
2-amino-N-(3-phenylpropyl)-1-[(E)-(4-propan-2-ylphenyl)methylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-phenylbutan-2-yl)-1-(4-propan-2-ylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide?
The IUPAC name of 2-amino-N-(4-phenylbutan-2-yl)-1-(4-propan-2-ylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide (CID 3386844) is 2-amino-N-(4-phenylbutan-2-yl)-1-(4-propan-2-ylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide.
What is the SMILES notation for 2-amino-N-(4-phenylbutan-2-yl)-1-(4-propan-2-ylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide?
The canonical SMILES for 2-amino-N-(4-phenylbutan-2-yl)-1-(4-propan-2-ylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide is CC(CCc1ccccc1)NC(=O)c1c(N)n(-c2ccc(C(C)C)cc2)c2nc3ccccc3nc12.
What is the InChIKey of 2-amino-N-(4-phenylbutan-2-yl)-1-(4-propan-2-ylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide?
The InChIKey is UZTWAKVRIDSXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N5O/c1-19(2)22-15-17-23(18-16-22)35-28(31)26(27-29(35)34-25-12-8-7-11-24(25)33-27)30(36)32-20(3)13-14-21-9-5-4-6-10-21/h4-12,15-20H,13-14,31H2,1-3H3,(H,32,36).
What are the key properties of 2-amino-N-(4-phenylbutan-2-yl)-1-(4-propan-2-ylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide?
2-amino-N-(4-phenylbutan-2-yl)-1-(4-propan-2-ylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide has a molecular weight of 477.61 g/mol, XLogP of 6.03, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-phenylbutan-2-yl)-1-(4-propan-2-ylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide is sourced from PubChem (CID 3386844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).