N-(1-naphthalen-1-ylethyl)-2,3-diphenylquinoxaline-6-carboxamide

C33H25N3O — CID 43853062

IUPACN-(1-naphthalen-1-ylethyl)-2,3-diphenylquinoxaline-6-carboxamide
SMILESCC(NC(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1)c1cccc2ccccc12
InChIInChI=1S/C33H25N3O/c1-22(27-18-10-16-23-11-8-9-17-28(23)27)34-33(37)26-19-20-29-30(21-26)36-32(25-14-6-3-7-15-25)31(35-29)24-12-4-2-5-13-24/h2-22H,1H3,(H,34,37)
InChIKeyQXZJFEBONYAVOO-UHFFFAOYSA-N
MW479.58 g/mol
LogP7.61
Rot. Bonds5

About N-(1-naphthalen-1-ylethyl)-2,3-diphenylquinoxaline-6-carboxamide

N-(1-naphthalen-1-ylethyl)-2,3-diphenylquinoxaline-6-carboxamide (PubChem CID 43853062) has the molecular formula C33H25N3O and a molecular weight of 479.58 g/mol. Its IUPAC name is N-(1-naphthalen-1-ylethyl)-2,3-diphenylquinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-(1-naphthalen-1-ylethyl)-2,3-diphenylquinoxaline-6-carboxamide
PubChem CID43853062
Molecular FormulaC33H25N3O
Molecular Weight479.58 g/mol
Exact Mass479.20
IUPAC NameN-(1-naphthalen-1-ylethyl)-2,3-diphenylquinoxaline-6-carboxamide
SMILESCC(NC(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1)c1cccc2ccccc12
InChIInChI=1S/C33H25N3O/c1-22(27-18-10-16-23-11-8-9-17-28(23)27)34-33(37)26-19-20-29-30(21-26)36-32(25-14-6-3-7-15-25)31(35-29)24-12-4-2-5-13-24/h2-22H,1H3,(H,34,37)
InChIKeyQXZJFEBONYAVOO-UHFFFAOYSA-N
XLogP7.61
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.58
LogP ≤ 57.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2,3-diphenylquinoxaline-6-carboxamide
CID 5261756
2,3-diphenyl-N-propylquinoxaline-6-carboxamide
CID 3107662
4-methylsulfonyl-N-[(1S)-1-naphthalen-1-ylethyl]benzamide
CID 9439131
5-[3-phenyl-7-[[(1S)-1-phenylethyl]carbamoyl]quinoxalin-2-yl]pentanoic acid
CID 57410037
N'-(4-methylbenzoyl)-2,3-diphenylquinoxaline-6-carbohydrazide
CID 5261928
3-(3-hydroxyprop-1-ynyl)-N-(1-naphthalen-1-ylethyl)benzamide
CID 155963043
N-butan-2-yl-2,3-bis(3-methylphenyl)quinoxaline-6-carboxamide
CID 22587985
3-fluoro-N-[(1S)-1-naphthalen-1-ylethyl]-4-pyridin-4-ylbenzamide
CID 68512371
N-(1-naphthalen-1-ylethyl)-4-propan-2-ylsulfonylbenzamide
CID 55757507
3,5-dichloro-4-hydroxy-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
CID 59038441
3-methyl-N-[1-(1-naphthalen-1-ylethylamino)-1-oxopropan-2-yl]benzamide
CID 112765749
2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-5-phenylbenzamide
CID 165115788

Frequently Asked Questions

What is the IUPAC name of N-(1-naphthalen-1-ylethyl)-2,3-diphenylquinoxaline-6-carboxamide?
The IUPAC name of N-(1-naphthalen-1-ylethyl)-2,3-diphenylquinoxaline-6-carboxamide (CID 43853062) is N-(1-naphthalen-1-ylethyl)-2,3-diphenylquinoxaline-6-carboxamide.
What is the SMILES notation for N-(1-naphthalen-1-ylethyl)-2,3-diphenylquinoxaline-6-carboxamide?
The canonical SMILES for N-(1-naphthalen-1-ylethyl)-2,3-diphenylquinoxaline-6-carboxamide is CC(NC(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1)c1cccc2ccccc12.
What is the InChIKey of N-(1-naphthalen-1-ylethyl)-2,3-diphenylquinoxaline-6-carboxamide?
The InChIKey is QXZJFEBONYAVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H25N3O/c1-22(27-18-10-16-23-11-8-9-17-28(23)27)34-33(37)26-19-20-29-30(21-26)36-32(25-14-6-3-7-15-25)31(35-29)24-12-4-2-5-13-24/h2-22H,1H3,(H,34,37).
What are the key properties of N-(1-naphthalen-1-ylethyl)-2,3-diphenylquinoxaline-6-carboxamide?
N-(1-naphthalen-1-ylethyl)-2,3-diphenylquinoxaline-6-carboxamide has a molecular weight of 479.58 g/mol, XLogP of 7.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-naphthalen-1-ylethyl)-2,3-diphenylquinoxaline-6-carboxamide is sourced from PubChem (CID 43853062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).