2-[2-(2-methylphenyl)ethenyl]-1H-quinolin-4-one

C18H15NO — CID 2976580

IUPAC2-[2-(2-methylphenyl)ethenyl]-1H-quinolin-4-one
SMILESCc1ccccc1C=Cc1cc(=O)c2ccccc2[nH]1
InChIInChI=1S/C18H15NO/c1-13-6-2-3-7-14(13)10-11-15-12-18(20)16-8-4-5-9-17(16)19-15/h2-12H,1H3,(H,19,20)
InChIKeyNUTJRCJUMGYLIV-UHFFFAOYSA-N
MW261.32 g/mol
LogP4.01
Rot. Bonds2

About 2-[2-(2-methylphenyl)ethenyl]-1H-quinolin-4-one

2-[2-(2-methylphenyl)ethenyl]-1H-quinolin-4-one (PubChem CID 2976580) has the molecular formula C18H15NO and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-[2-(2-methylphenyl)ethenyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name2-[2-(2-methylphenyl)ethenyl]-1H-quinolin-4-one
PubChem CID2976580
Molecular FormulaC18H15NO
Molecular Weight261.32 g/mol
Exact Mass261.12
IUPAC Name2-[2-(2-methylphenyl)ethenyl]-1H-quinolin-4-one
SMILESCc1ccccc1C=Cc1cc(=O)c2ccccc2[nH]1
InChIInChI=1S/C18H15NO/c1-13-6-2-3-7-14(13)10-11-15-12-18(20)16-8-4-5-9-17(16)19-15/h2-12H,1H3,(H,19,20)
InChIKeyNUTJRCJUMGYLIV-UHFFFAOYSA-N
XLogP4.01
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylphenyl)ethenyl]-1H-quinolin-4-one?
The IUPAC name of 2-[2-(2-methylphenyl)ethenyl]-1H-quinolin-4-one (CID 2976580) is 2-[2-(2-methylphenyl)ethenyl]-1H-quinolin-4-one.
What is the SMILES notation for 2-[2-(2-methylphenyl)ethenyl]-1H-quinolin-4-one?
The canonical SMILES for 2-[2-(2-methylphenyl)ethenyl]-1H-quinolin-4-one is Cc1ccccc1C=Cc1cc(=O)c2ccccc2[nH]1.
What is the InChIKey of 2-[2-(2-methylphenyl)ethenyl]-1H-quinolin-4-one?
The InChIKey is NUTJRCJUMGYLIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO/c1-13-6-2-3-7-14(13)10-11-15-12-18(20)16-8-4-5-9-17(16)19-15/h2-12H,1H3,(H,19,20).
What are the key properties of 2-[2-(2-methylphenyl)ethenyl]-1H-quinolin-4-one?
2-[2-(2-methylphenyl)ethenyl]-1H-quinolin-4-one has a molecular weight of 261.32 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylphenyl)ethenyl]-1H-quinolin-4-one is sourced from PubChem (CID 2976580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).