7-methyl-3-(2-phenylethynyl)-7,8-dihydro-6H-quinolin-5-one

C18H15NO — CID 56963567

IUPAC7-methyl-3-(2-phenylethynyl)-7,8-dihydro-6H-quinolin-5-one
SMILESCC1CC(=O)c2cc(C#Cc3ccccc3)cnc2C1
InChIInChI=1S/C18H15NO/c1-13-9-17-16(18(20)10-13)11-15(12-19-17)8-7-14-5-3-2-4-6-14/h2-6,11-13H,9-10H2,1H3
InChIKeyOOQZHWDNDNVALU-UHFFFAOYSA-N
MW261.32 g/mol
LogP3.25
Rot. Bonds

About 7-methyl-3-(2-phenylethynyl)-7,8-dihydro-6H-quinolin-5-one

7-methyl-3-(2-phenylethynyl)-7,8-dihydro-6H-quinolin-5-one (PubChem CID 56963567) has the molecular formula C18H15NO and a molecular weight of 261.32 g/mol. Its IUPAC name is 7-methyl-3-(2-phenylethynyl)-7,8-dihydro-6H-quinolin-5-one.

Molecular Properties

Compound Name7-methyl-3-(2-phenylethynyl)-7,8-dihydro-6H-quinolin-5-one
PubChem CID56963567
Molecular FormulaC18H15NO
Molecular Weight261.32 g/mol
Exact Mass261.12
IUPAC Name7-methyl-3-(2-phenylethynyl)-7,8-dihydro-6H-quinolin-5-one
SMILESCC1CC(=O)c2cc(C#Cc3ccccc3)cnc2C1
InChIInChI=1S/C18H15NO/c1-13-9-17-16(18(20)10-13)11-15(12-19-17)8-7-14-5-3-2-4-6-14/h2-6,11-13H,9-10H2,1H3
InChIKeyOOQZHWDNDNVALU-UHFFFAOYSA-N
XLogP3.25
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-(2-phenylethynyl)-7,8-dihydro-6H-quinolin-5-one?
The IUPAC name of 7-methyl-3-(2-phenylethynyl)-7,8-dihydro-6H-quinolin-5-one (CID 56963567) is 7-methyl-3-(2-phenylethynyl)-7,8-dihydro-6H-quinolin-5-one.
What is the SMILES notation for 7-methyl-3-(2-phenylethynyl)-7,8-dihydro-6H-quinolin-5-one?
The canonical SMILES for 7-methyl-3-(2-phenylethynyl)-7,8-dihydro-6H-quinolin-5-one is CC1CC(=O)c2cc(C#Cc3ccccc3)cnc2C1.
What is the InChIKey of 7-methyl-3-(2-phenylethynyl)-7,8-dihydro-6H-quinolin-5-one?
The InChIKey is OOQZHWDNDNVALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO/c1-13-9-17-16(18(20)10-13)11-15(12-19-17)8-7-14-5-3-2-4-6-14/h2-6,11-13H,9-10H2,1H3.
What are the key properties of 7-methyl-3-(2-phenylethynyl)-7,8-dihydro-6H-quinolin-5-one?
7-methyl-3-(2-phenylethynyl)-7,8-dihydro-6H-quinolin-5-one has a molecular weight of 261.32 g/mol, XLogP of 3.25, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-(2-phenylethynyl)-7,8-dihydro-6H-quinolin-5-one is sourced from PubChem (CID 56963567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).