3-(2-oxopropyl)-3,4-dihydro-1H-quinolin-2-one

C12H13NO2 — CID 145472008

IUPAC3-(2-oxopropyl)-3,4-dihydro-1H-quinolin-2-one
SMILESCC(=O)CC1Cc2ccccc2NC1=O
InChIInChI=1S/C12H13NO2/c1-8(14)6-10-7-9-4-2-3-5-11(9)13-12(10)15/h2-5,10H,6-7H2,1H3,(H,13,15)
InChIKeyYYTCMFGDHVQKFE-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.78
Rot. Bonds2

About 3-(2-oxopropyl)-3,4-dihydro-1H-quinolin-2-one

3-(2-oxopropyl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 145472008) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 3-(2-oxopropyl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name3-(2-oxopropyl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID145472008
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name3-(2-oxopropyl)-3,4-dihydro-1H-quinolin-2-one
SMILESCC(=O)CC1Cc2ccccc2NC1=O
InChIInChI=1S/C12H13NO2/c1-8(14)6-10-7-9-4-2-3-5-11(9)13-12(10)15/h2-5,10H,6-7H2,1H3,(H,13,15)
InChIKeyYYTCMFGDHVQKFE-UHFFFAOYSA-N
XLogP1.78
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-ethyl-3,4-dihydro-1H-quinolin-2-one
CID 70087119
3-butyl-3,4-dihydro-1H-quinolin-2-one
CID 12715425
ethane;3-(2-oxopropyl)-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one
CID 91042710
ethane;4-methyl-3-(2-oxopropyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 91068353
(4-acetylphenyl) 3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoate
CID 16615487
N-[(2S)-3-methylbutan-2-yl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide
CID 30211328
3-amino-3,4-dihydro-1H-quinolin-2-one;hydroiodide
CID 17234022
methyl 2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]acetate
CID 134051213
N-(2-hydroxy-2-methylpropyl)-N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 111543322
N-(2-hydroxyethyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 78839484
N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 18162223
N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-2-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)acetamide
CID 166278666

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxopropyl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 3-(2-oxopropyl)-3,4-dihydro-1H-quinolin-2-one (CID 145472008) is 3-(2-oxopropyl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 3-(2-oxopropyl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 3-(2-oxopropyl)-3,4-dihydro-1H-quinolin-2-one is CC(=O)CC1Cc2ccccc2NC1=O.
What is the InChIKey of 3-(2-oxopropyl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is YYTCMFGDHVQKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-8(14)6-10-7-9-4-2-3-5-11(9)13-12(10)15/h2-5,10H,6-7H2,1H3,(H,13,15).
What are the key properties of 3-(2-oxopropyl)-3,4-dihydro-1H-quinolin-2-one?
3-(2-oxopropyl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 203.24 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxopropyl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 145472008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).