2-(2-methylphenyl)-1-quinolin-5-ylethanone

C18H15NO — CID 81220706

IUPAC2-(2-methylphenyl)-1-quinolin-5-ylethanone
SMILESCc1ccccc1CC(=O)c1cccc2ncccc12
InChIInChI=1S/C18H15NO/c1-13-6-2-3-7-14(13)12-18(20)16-8-4-10-17-15(16)9-5-11-19-17/h2-11H,12H2,1H3
InChIKeyHQXUTUYROHVNMG-UHFFFAOYSA-N
MW261.32 g/mol
LogP3.97
Rot. Bonds3

About 2-(2-methylphenyl)-1-quinolin-5-ylethanone

2-(2-methylphenyl)-1-quinolin-5-ylethanone (PubChem CID 81220706) has the molecular formula C18H15NO and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-(2-methylphenyl)-1-quinolin-5-ylethanone.

Molecular Properties

Compound Name2-(2-methylphenyl)-1-quinolin-5-ylethanone
PubChem CID81220706
Molecular FormulaC18H15NO
Molecular Weight261.32 g/mol
Exact Mass261.12
IUPAC Name2-(2-methylphenyl)-1-quinolin-5-ylethanone
SMILESCc1ccccc1CC(=O)c1cccc2ncccc12
InChIInChI=1S/C18H15NO/c1-13-6-2-3-7-14(13)12-18(20)16-8-4-10-17-15(16)9-5-11-19-17/h2-11H,12H2,1H3
InChIKeyHQXUTUYROHVNMG-UHFFFAOYSA-N
XLogP3.97
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chlorophenyl)-2-quinolin-5-ylethanone;hydrobromide
CID 173164108
2-(4-methyl-1,3-thiazol-2-yl)-1-quinolin-5-ylethanone
CID 81220404
(3-methyl-2-pyridinyl)-quinolin-5-ylmethanone
CID 81220476
2-(4-aminophenyl)-1-quinolin-5-ylethanone
CID 116549569
1,2-bis(2-methylphenyl)ethanone
CID 11345119
3-methyl-1-quinolin-5-ylbut-3-en-1-one
CID 105112604
2-(2-methoxyethoxy)-1-quinolin-5-ylethanone
CID 114032521
1-quinolin-5-ylbut-3-yn-1-one
CID 105076404
1-quinolin-5-ylhexan-1-one
CID 115789824
2-(1-ethylimidazol-2-yl)-1-quinolin-5-ylethanone
CID 105115236
3,3,3-trifluoro-1-quinolin-5-ylpropan-1-one
CID 81220780
2-tert-butylsulfanyl-1-quinolin-5-ylethanone
CID 81220116

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-1-quinolin-5-ylethanone?
The IUPAC name of 2-(2-methylphenyl)-1-quinolin-5-ylethanone (CID 81220706) is 2-(2-methylphenyl)-1-quinolin-5-ylethanone.
What is the SMILES notation for 2-(2-methylphenyl)-1-quinolin-5-ylethanone?
The canonical SMILES for 2-(2-methylphenyl)-1-quinolin-5-ylethanone is Cc1ccccc1CC(=O)c1cccc2ncccc12.
What is the InChIKey of 2-(2-methylphenyl)-1-quinolin-5-ylethanone?
The InChIKey is HQXUTUYROHVNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO/c1-13-6-2-3-7-14(13)12-18(20)16-8-4-10-17-15(16)9-5-11-19-17/h2-11H,12H2,1H3.
What are the key properties of 2-(2-methylphenyl)-1-quinolin-5-ylethanone?
2-(2-methylphenyl)-1-quinolin-5-ylethanone has a molecular weight of 261.32 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-1-quinolin-5-ylethanone is sourced from PubChem (CID 81220706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).