N-(1-benzylpyrrolidin-3-yl)-2,3-diphenylquinoxaline-6-carboxamide

C32H28N4O — CID 44763799

IUPACN-(1-benzylpyrrolidin-3-yl)-2,3-diphenylquinoxaline-6-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)C1)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1
InChIInChI=1S/C32H28N4O/c37-32(33-27-18-19-36(22-27)21-23-10-4-1-5-11-23)26-16-17-28-29(20-26)35-31(25-14-8-3-9-15-25)30(34-28)24-12-6-2-7-13-24/h1-17,20,27H,18-19,21-22H2,(H,33,37)
InChIKeyDBAYAVCNYQEZFD-UHFFFAOYSA-N
MW484.60 g/mol
LogP5.97
Rot. Bonds6

About N-(1-benzylpyrrolidin-3-yl)-2,3-diphenylquinoxaline-6-carboxamide

N-(1-benzylpyrrolidin-3-yl)-2,3-diphenylquinoxaline-6-carboxamide (PubChem CID 44763799) has the molecular formula C32H28N4O and a molecular weight of 484.60 g/mol. Its IUPAC name is N-(1-benzylpyrrolidin-3-yl)-2,3-diphenylquinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpyrrolidin-3-yl)-2,3-diphenylquinoxaline-6-carboxamide
PubChem CID44763799
Molecular FormulaC32H28N4O
Molecular Weight484.60 g/mol
Exact Mass484.23
IUPAC NameN-(1-benzylpyrrolidin-3-yl)-2,3-diphenylquinoxaline-6-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)C1)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1
InChIInChI=1S/C32H28N4O/c37-32(33-27-18-19-36(22-27)21-23-10-4-1-5-11-23)26-16-17-28-29(20-26)35-31(25-14-8-3-9-15-25)30(34-28)24-12-6-2-7-13-24/h1-17,20,27H,18-19,21-22H2,(H,33,37)
InChIKeyDBAYAVCNYQEZFD-UHFFFAOYSA-N
XLogP5.97
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.60
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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N-[2-[2-[2-[(6,9-dimethylphenazine-1-carbonyl)amino]ethylamino]ethylamino]ethyl]-6,9-dimethylphenazine-1-carboxamide
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CID 10841827
3-Amino-2-phenyl-quinoline-4-carboxylic acid ((R)-1-phenyl-propyl)-amide
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Quinoxaline-6-carboxylic acid [2-(2-methyl-1H-indol-3-yl)-ethyl]-amide
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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrrolidin-3-yl)-2,3-diphenylquinoxaline-6-carboxamide?
The IUPAC name of N-(1-benzylpyrrolidin-3-yl)-2,3-diphenylquinoxaline-6-carboxamide (CID 44763799) is N-(1-benzylpyrrolidin-3-yl)-2,3-diphenylquinoxaline-6-carboxamide.
What is the SMILES notation for N-(1-benzylpyrrolidin-3-yl)-2,3-diphenylquinoxaline-6-carboxamide?
The canonical SMILES for N-(1-benzylpyrrolidin-3-yl)-2,3-diphenylquinoxaline-6-carboxamide is O=C(NC1CCN(Cc2ccccc2)C1)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1.
What is the InChIKey of N-(1-benzylpyrrolidin-3-yl)-2,3-diphenylquinoxaline-6-carboxamide?
The InChIKey is DBAYAVCNYQEZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28N4O/c37-32(33-27-18-19-36(22-27)21-23-10-4-1-5-11-23)26-16-17-28-29(20-26)35-31(25-14-8-3-9-15-25)30(34-28)24-12-6-2-7-13-24/h1-17,20,27H,18-19,21-22H2,(H,33,37).
What are the key properties of N-(1-benzylpyrrolidin-3-yl)-2,3-diphenylquinoxaline-6-carboxamide?
N-(1-benzylpyrrolidin-3-yl)-2,3-diphenylquinoxaline-6-carboxamide has a molecular weight of 484.60 g/mol, XLogP of 5.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrrolidin-3-yl)-2,3-diphenylquinoxaline-6-carboxamide is sourced from PubChem (CID 44763799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).