(4-propan-2-ylphenyl)-quinoxalin-5-ylmethanone

C18H16N2O — CID 105097599

IUPAC(4-propan-2-ylphenyl)-quinoxalin-5-ylmethanone
SMILESCC(C)c1ccc(C(=O)c2cccc3nccnc23)cc1
InChIInChI=1S/C18H16N2O/c1-12(2)13-6-8-14(9-7-13)18(21)15-4-3-5-16-17(15)20-11-10-19-16/h3-12H,1-2H3
InChIKeyFSBHYWGBBVKRAC-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.98
Rot. Bonds3

About (4-propan-2-ylphenyl)-quinoxalin-5-ylmethanone

(4-propan-2-ylphenyl)-quinoxalin-5-ylmethanone (PubChem CID 105097599) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is (4-propan-2-ylphenyl)-quinoxalin-5-ylmethanone.

Molecular Properties

Compound Name(4-propan-2-ylphenyl)-quinoxalin-5-ylmethanone
PubChem CID105097599
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name(4-propan-2-ylphenyl)-quinoxalin-5-ylmethanone
SMILESCC(C)c1ccc(C(=O)c2cccc3nccnc23)cc1
InChIInChI=1S/C18H16N2O/c1-12(2)13-6-8-14(9-7-13)18(21)15-4-3-5-16-17(15)20-11-10-19-16/h3-12H,1-2H3
InChIKeyFSBHYWGBBVKRAC-UHFFFAOYSA-N
XLogP3.98
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-ylquinoxaline-5-carboxamide
CID 110701330
N-(2-hydroxy-3-methylbutyl)quinoxaline-5-carboxamide
CID 104580610
N-(1-amino-1-sulfanylidenepropan-2-yl)quinoxaline-5-carboxamide
CID 104614287
N-[2-(propan-2-ylamino)ethyl]quinoxaline-5-carboxamide
CID 104615463
N-(2-methylpropoxy)quinoxaline-5-carboxamide
CID 104578317
N-(1,1-dimethoxypropan-2-yl)quinoxaline-5-carboxamide
CID 104614319
N-(1-bromopropan-2-yl)-N-methylquinoxaline-5-carboxamide
CID 104615787
N-(4-aminobutan-2-yl)quinoxaline-5-carboxamide
CID 104613993
3,4-dihydro-2H-1,4-benzoxazin-8-yl-(4-propan-2-ylphenyl)methanone
CID 116610704
N-(3-chlorobutyl)quinoxaline-5-carboxamide
CID 104615743
bis[4-(4-propan-2-ylphenyl)phenyl]methanone
CID 175028930
N-(2-methoxyethoxy)quinoxaline-5-carboxamide
CID 113428897

Frequently Asked Questions

What is the IUPAC name of (4-propan-2-ylphenyl)-quinoxalin-5-ylmethanone?
The IUPAC name of (4-propan-2-ylphenyl)-quinoxalin-5-ylmethanone (CID 105097599) is (4-propan-2-ylphenyl)-quinoxalin-5-ylmethanone.
What is the SMILES notation for (4-propan-2-ylphenyl)-quinoxalin-5-ylmethanone?
The canonical SMILES for (4-propan-2-ylphenyl)-quinoxalin-5-ylmethanone is CC(C)c1ccc(C(=O)c2cccc3nccnc23)cc1.
What is the InChIKey of (4-propan-2-ylphenyl)-quinoxalin-5-ylmethanone?
The InChIKey is FSBHYWGBBVKRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c1-12(2)13-6-8-14(9-7-13)18(21)15-4-3-5-16-17(15)20-11-10-19-16/h3-12H,1-2H3.
What are the key properties of (4-propan-2-ylphenyl)-quinoxalin-5-ylmethanone?
(4-propan-2-ylphenyl)-quinoxalin-5-ylmethanone has a molecular weight of 276.34 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-ylphenyl)-quinoxalin-5-ylmethanone is sourced from PubChem (CID 105097599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).