2-amino-1-(2-morpholin-4-ylethyl)-N-(2-phenylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide

C25H28N6O2 — CID 659097

IUPAC2-amino-1-(2-morpholin-4-ylethyl)-N-(2-phenylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
SMILESNc1c(C(=O)NCCc2ccccc2)c2nc3ccccc3nc2n1CCN1CCOCC1
InChIInChI=1S/C25H28N6O2/c26-23-21(25(32)27-11-10-18-6-2-1-3-7-18)22-24(29-20-9-5-4-8-19(20)28-22)31(23)13-12-30-14-16-33-17-15-30/h1-9H,10-17,26H2,(H,27,32)
InChIKeyKEXOZWALEOPIGE-UHFFFAOYSA-N
MW444.54 g/mol
LogP2.47
Rot. Bonds7

About 2-amino-1-(2-morpholin-4-ylethyl)-N-(2-phenylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide

2-amino-1-(2-morpholin-4-ylethyl)-N-(2-phenylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide (PubChem CID 659097) has the molecular formula C25H28N6O2 and a molecular weight of 444.54 g/mol. Its IUPAC name is 2-amino-1-(2-morpholin-4-ylethyl)-N-(2-phenylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide.

Molecular Properties

Compound Name2-amino-1-(2-morpholin-4-ylethyl)-N-(2-phenylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
PubChem CID659097
Molecular FormulaC25H28N6O2
Molecular Weight444.54 g/mol
Exact Mass444.23
IUPAC Name2-amino-1-(2-morpholin-4-ylethyl)-N-(2-phenylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
SMILESNc1c(C(=O)NCCc2ccccc2)c2nc3ccccc3nc2n1CCN1CCOCC1
InChIInChI=1S/C25H28N6O2/c26-23-21(25(32)27-11-10-18-6-2-1-3-7-18)22-24(29-20-9-5-4-8-19(20)28-22)31(23)13-12-30-14-16-33-17-15-30/h1-9H,10-17,26H2,(H,27,32)
InChIKeyKEXOZWALEOPIGE-UHFFFAOYSA-N
XLogP2.47
TPSA98.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-amino-1-(2-morpholin-4-ylethyl)-N-(2-phenylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide with MolForge

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Related Compounds

SIRT1 Activator 3
CID 1882365
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CID 22432631
2-Amino-1-[4-({[3-(Trifluoromethyl)phenyl]carbamoyl}amino)phenyl]-1h-Pyrrolo[2,3-B]quinoxaline-3-Carboxamide
CID 76871916
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US10774086, Example 13
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US10774086, Example 18
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{4-[2-(3-Morpholin-4-yl-propylamino)-9-phenyl-9H-purin-6-ylamino]-phenyl}-piperidin-1-yl-methanone
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2-amino-N-butan-2-yl-1-(3-methoxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 662388
11-(2-methylpropyl)-3-[2-(morpholin-4-yl)ethyl]-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
CID 660123

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-morpholin-4-ylethyl)-N-(2-phenylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide?
The IUPAC name of 2-amino-1-(2-morpholin-4-ylethyl)-N-(2-phenylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide (CID 659097) is 2-amino-1-(2-morpholin-4-ylethyl)-N-(2-phenylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide.
What is the SMILES notation for 2-amino-1-(2-morpholin-4-ylethyl)-N-(2-phenylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide?
The canonical SMILES for 2-amino-1-(2-morpholin-4-ylethyl)-N-(2-phenylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide is Nc1c(C(=O)NCCc2ccccc2)c2nc3ccccc3nc2n1CCN1CCOCC1.
What is the InChIKey of 2-amino-1-(2-morpholin-4-ylethyl)-N-(2-phenylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide?
The InChIKey is KEXOZWALEOPIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O2/c26-23-21(25(32)27-11-10-18-6-2-1-3-7-18)22-24(29-20-9-5-4-8-19(20)28-22)31(23)13-12-30-14-16-33-17-15-30/h1-9H,10-17,26H2,(H,27,32).
What are the key properties of 2-amino-1-(2-morpholin-4-ylethyl)-N-(2-phenylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide?
2-amino-1-(2-morpholin-4-ylethyl)-N-(2-phenylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide has a molecular weight of 444.54 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-morpholin-4-ylethyl)-N-(2-phenylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide is sourced from PubChem (CID 659097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).