N-butan-2-yl-2,3-bis(3-methylphenyl)quinoxaline-6-carboxamide

C27H27N3O — CID 22587985

IUPACN-butan-2-yl-2,3-bis(3-methylphenyl)quinoxaline-6-carboxamide
SMILESCCC(C)NC(=O)c1ccc2nc(-c3cccc(C)c3)c(-c3cccc(C)c3)nc2c1
InChIInChI=1S/C27H27N3O/c1-5-19(4)28-27(31)22-12-13-23-24(16-22)30-26(21-11-7-9-18(3)15-21)25(29-23)20-10-6-8-17(2)14-20/h6-16,19H,5H2,1-4H3,(H,28,31)
InChIKeyISSYRWFOFUFUAY-UHFFFAOYSA-N
MW409.53 g/mol
LogP6.11
Rot. Bonds5

About N-butan-2-yl-2,3-bis(3-methylphenyl)quinoxaline-6-carboxamide

N-butan-2-yl-2,3-bis(3-methylphenyl)quinoxaline-6-carboxamide (PubChem CID 22587985) has the molecular formula C27H27N3O and a molecular weight of 409.53 g/mol. Its IUPAC name is N-butan-2-yl-2,3-bis(3-methylphenyl)quinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-2,3-bis(3-methylphenyl)quinoxaline-6-carboxamide
PubChem CID22587985
Molecular FormulaC27H27N3O
Molecular Weight409.53 g/mol
Exact Mass409.22
IUPAC NameN-butan-2-yl-2,3-bis(3-methylphenyl)quinoxaline-6-carboxamide
SMILESCCC(C)NC(=O)c1ccc2nc(-c3cccc(C)c3)c(-c3cccc(C)c3)nc2c1
InChIInChI=1S/C27H27N3O/c1-5-19(4)28-27(31)22-12-13-23-24(16-22)30-26(21-11-7-9-18(3)15-21)25(29-23)20-10-6-8-17(2)14-20/h6-16,19H,5H2,1-4H3,(H,28,31)
InChIKeyISSYRWFOFUFUAY-UHFFFAOYSA-N
XLogP6.11
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.53
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-butan-2-yl]-3-(3-methylphenyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide
CID 92741945
N-[(2R)-butan-2-yl]-3-[[5-(3-methylphenyl)pyrimidin-2-yl]amino]benzamide
CID 93070931
N-butan-2-yl-4-[2-(3-methylphenyl)pyrimidin-4-yl]oxybenzamide
CID 83277133
N-(1-naphthalen-1-ylethyl)-2,3-diphenylquinoxaline-6-carboxamide
CID 43853062
N-[(2S)-butan-2-yl]-3-[(4-methylbenzoyl)amino]benzamide
CID 42427411
N-[(2S)-butan-2-yl]-3-quinolin-3-ylbenzamide
CID 92883220
N-ethyl-2,3-diphenylquinoxaline-6-carboxamide
CID 5261756
N'-(4-methylbenzoyl)-2,3-diphenylquinoxaline-6-carbohydrazide
CID 5261928
N-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]-3-methylbenzamide
CID 34675021
3-amino-N-[(2S)-butan-2-yl]benzamide
CID 42427278
N-[(2S)-butan-2-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 92729267
2,3-diphenyl-N-propylquinoxaline-6-carboxamide
CID 3107662

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2,3-bis(3-methylphenyl)quinoxaline-6-carboxamide?
The IUPAC name of N-butan-2-yl-2,3-bis(3-methylphenyl)quinoxaline-6-carboxamide (CID 22587985) is N-butan-2-yl-2,3-bis(3-methylphenyl)quinoxaline-6-carboxamide.
What is the SMILES notation for N-butan-2-yl-2,3-bis(3-methylphenyl)quinoxaline-6-carboxamide?
The canonical SMILES for N-butan-2-yl-2,3-bis(3-methylphenyl)quinoxaline-6-carboxamide is CCC(C)NC(=O)c1ccc2nc(-c3cccc(C)c3)c(-c3cccc(C)c3)nc2c1.
What is the InChIKey of N-butan-2-yl-2,3-bis(3-methylphenyl)quinoxaline-6-carboxamide?
The InChIKey is ISSYRWFOFUFUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O/c1-5-19(4)28-27(31)22-12-13-23-24(16-22)30-26(21-11-7-9-18(3)15-21)25(29-23)20-10-6-8-17(2)14-20/h6-16,19H,5H2,1-4H3,(H,28,31).
What are the key properties of N-butan-2-yl-2,3-bis(3-methylphenyl)quinoxaline-6-carboxamide?
N-butan-2-yl-2,3-bis(3-methylphenyl)quinoxaline-6-carboxamide has a molecular weight of 409.53 g/mol, XLogP of 6.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2,3-bis(3-methylphenyl)quinoxaline-6-carboxamide is sourced from PubChem (CID 22587985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).