3-benzoyl-3,4-dihydro-1H-quinolin-2-one

C16H13NO2 — CID 154640290

IUPAC3-benzoyl-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1Nc2ccccc2CC1C(=O)c1ccccc1
InChIInChI=1S/C16H13NO2/c18-15(11-6-2-1-3-7-11)13-10-12-8-4-5-9-14(12)17-16(13)19/h1-9,13H,10H2,(H,17,19)
InChIKeyCMRRNGKKEKUHQO-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.68
Rot. Bonds2

About 3-benzoyl-3,4-dihydro-1H-quinolin-2-one

3-benzoyl-3,4-dihydro-1H-quinolin-2-one (PubChem CID 154640290) has the molecular formula C16H13NO2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 3-benzoyl-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name3-benzoyl-3,4-dihydro-1H-quinolin-2-one
PubChem CID154640290
Molecular FormulaC16H13NO2
Molecular Weight251.29 g/mol
Exact Mass251.09
IUPAC Name3-benzoyl-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1Nc2ccccc2CC1C(=O)c1ccccc1
InChIInChI=1S/C16H13NO2/c18-15(11-6-2-1-3-7-11)13-10-12-8-4-5-9-14(12)17-16(13)19/h1-9,13H,10H2,(H,17,19)
InChIKeyCMRRNGKKEKUHQO-UHFFFAOYSA-N
XLogP2.68
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-benzoylpyrrolidine-2,5-dione
CID 15178182
3-(3-bromopropanoyl)-3,4-dihydro-1H-quinolin-2-one
CID 150552206
3-amino-3,4-dihydro-1H-quinolin-2-one;hydroiodide
CID 17234022
(3R)-3-bromo-3,4-dihydro-1H-quinolin-2-one
CID 86317576
3-(2-oxopropyl)-3,4-dihydro-1H-quinolin-2-one
CID 145472008
phenacyl 3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoate
CID 166220494
3,4-dimethyl-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 12622089
(3S)-3-ethyl-3,4-dihydro-1H-quinolin-2-one
CID 70087119
2-benzoylcyclopentane-1,3-dione
CID 15625879
2-benzoyl-5-fluoro-2,3-dihydroinden-1-one
CID 116531409
ethyl 2-oxo-4-phenyl-1,3,4,5-tetrahydro-1-benzazepine-3-carboxylate
CID 68606018
(5S)-5-benzoylpyrrolidine-2,4-dione
CID 98552249

Frequently Asked Questions

What is the IUPAC name of 3-benzoyl-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 3-benzoyl-3,4-dihydro-1H-quinolin-2-one (CID 154640290) is 3-benzoyl-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 3-benzoyl-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 3-benzoyl-3,4-dihydro-1H-quinolin-2-one is O=C1Nc2ccccc2CC1C(=O)c1ccccc1.
What is the InChIKey of 3-benzoyl-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is CMRRNGKKEKUHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2/c18-15(11-6-2-1-3-7-11)13-10-12-8-4-5-9-14(12)17-16(13)19/h1-9,13H,10H2,(H,17,19).
What are the key properties of 3-benzoyl-3,4-dihydro-1H-quinolin-2-one?
3-benzoyl-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 251.29 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzoyl-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 154640290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).