N-(3,3-diphenylpropyl)quinoxaline-2-carboxamide

C24H21N3O — CID 7536893

IUPACN-(3,3-diphenylpropyl)quinoxaline-2-carboxamide
SMILESO=C(NCCC(c1ccccc1)c1ccccc1)c1cnc2ccccc2n1
InChIInChI=1S/C24H21N3O/c28-24(23-17-26-21-13-7-8-14-22(21)27-23)25-16-15-20(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-14,17,20H,15-16H2,(H,25,28)
InChIKeyFREORAKEDGIVMN-UHFFFAOYSA-N
MW367.45 g/mol
LogP4.58
Rot. Bonds6

About N-(3,3-diphenylpropyl)quinoxaline-2-carboxamide

N-(3,3-diphenylpropyl)quinoxaline-2-carboxamide (PubChem CID 7536893) has the molecular formula C24H21N3O and a molecular weight of 367.45 g/mol. Its IUPAC name is N-(3,3-diphenylpropyl)quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-(3,3-diphenylpropyl)quinoxaline-2-carboxamide
PubChem CID7536893
Molecular FormulaC24H21N3O
Molecular Weight367.45 g/mol
Exact Mass367.17
IUPAC NameN-(3,3-diphenylpropyl)quinoxaline-2-carboxamide
SMILESO=C(NCCC(c1ccccc1)c1ccccc1)c1cnc2ccccc2n1
InChIInChI=1S/C24H21N3O/c28-24(23-17-26-21-13-7-8-14-22(21)27-23)25-16-15-20(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-14,17,20H,15-16H2,(H,25,28)
InChIKeyFREORAKEDGIVMN-UHFFFAOYSA-N
XLogP4.58
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-(quinoxaline-2-carbonylamino)butanoic acid
CID 67154830
N-(3-hydroxy-4-methoxybutyl)quinoxaline-2-carboxamide
CID 103877657
N-(4-phenylbutyl)quinoxaline-2-carboxamide
CID 22136414
N-but-3-enylquinoxaline-2-carboxamide
CID 113466022
N-(2-methylpropyl)quinoxaline-2-carboxamide
CID 32978197
1-N,4-N-bis(3,3-diphenylpropyl)benzene-1,4-dicarboxamide
CID 5181795
(2S)-2-amino-3-(quinoxaline-2-carbonylamino)propanoic acid
CID 67154498
N-(2-azidoethyl)quinoxaline-2-carboxamide
CID 107356589
N-(2-aminopropyl)quinoxaline-2-carboxamide
CID 107356511
N-(2-cyclopentylsulfanylethyl)quinoxaline-2-carboxamide
CID 75403017
N-[[3-[(quinoxaline-2-carbonylamino)methyl]phenyl]methyl]quinoxaline-2-carboxamide
CID 112799416
N-(2-amino-3-methylbutyl)quinoxaline-2-carboxamide
CID 103807153

Frequently Asked Questions

What is the IUPAC name of N-(3,3-diphenylpropyl)quinoxaline-2-carboxamide?
The IUPAC name of N-(3,3-diphenylpropyl)quinoxaline-2-carboxamide (CID 7536893) is N-(3,3-diphenylpropyl)quinoxaline-2-carboxamide.
What is the SMILES notation for N-(3,3-diphenylpropyl)quinoxaline-2-carboxamide?
The canonical SMILES for N-(3,3-diphenylpropyl)quinoxaline-2-carboxamide is O=C(NCCC(c1ccccc1)c1ccccc1)c1cnc2ccccc2n1.
What is the InChIKey of N-(3,3-diphenylpropyl)quinoxaline-2-carboxamide?
The InChIKey is FREORAKEDGIVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O/c28-24(23-17-26-21-13-7-8-14-22(21)27-23)25-16-15-20(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-14,17,20H,15-16H2,(H,25,28).
What are the key properties of N-(3,3-diphenylpropyl)quinoxaline-2-carboxamide?
N-(3,3-diphenylpropyl)quinoxaline-2-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diphenylpropyl)quinoxaline-2-carboxamide is sourced from PubChem (CID 7536893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).