3-ethyl-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one

C13H17NO — CID 82112600

IUPAC3-ethyl-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one
SMILESCCC1Cc2cc(C)c(C)cc2NC1=O
InChIInChI=1S/C13H17NO/c1-4-10-7-11-5-8(2)9(3)6-12(11)14-13(10)15/h5-6,10H,4,7H2,1-3H3,(H,14,15)
InChIKeyOAHKORFZTLGUHZ-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.82
Rot. Bonds1

About 3-ethyl-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one

3-ethyl-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one (PubChem CID 82112600) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 3-ethyl-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name3-ethyl-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one
PubChem CID82112600
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name3-ethyl-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one
SMILESCCC1Cc2cc(C)c(C)cc2NC1=O
InChIInChI=1S/C13H17NO/c1-4-10-7-11-5-8(2)9(3)6-12(11)14-13(10)15/h5-6,10H,4,7H2,1-3H3,(H,14,15)
InChIKeyOAHKORFZTLGUHZ-UHFFFAOYSA-N
XLogP2.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3S)-3-ethyl-3,4-dihydro-1H-quinolin-2-one
CID 70087119
2-ethyl-5,6-dimethyl-2,3-dihydro-1H-indole
CID 148876234
3-ethyl-6-[(6S)-5-oxo-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl]-3,4-dihydro-1H-quinolin-2-one
CID 70411637
3-butyl-3,4-dihydro-1H-quinolin-2-one
CID 12715425
3-ethyl-7-methyl-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-one
CID 79291109
3-ethyl-N-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide;bis(3-ethyl-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide);methane
CID 157183746
7-fluoro-6-methyl-2-oxo-3,4-dihydro-1H-quinoline-3-carboxylic acid
CID 114553170
5-bromo-2-ethyl-7-methyl-2,3-dihydroinden-1-one
CID 68947911
3-ethyl-7-methyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one
CID 81136874
N-(3,5-dimethylphenyl)-N-ethyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 55592669
N-(3-fluoro-4-methylphenyl)-3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide
CID 26026495
N-(3-fluoro-4-methylphenyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 42933936

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 3-ethyl-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one (CID 82112600) is 3-ethyl-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 3-ethyl-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 3-ethyl-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one is CCC1Cc2cc(C)c(C)cc2NC1=O.
What is the InChIKey of 3-ethyl-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is OAHKORFZTLGUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-4-10-7-11-5-8(2)9(3)6-12(11)14-13(10)15/h5-6,10H,4,7H2,1-3H3,(H,14,15).
What are the key properties of 3-ethyl-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one?
3-ethyl-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 203.28 g/mol, XLogP of 2.82, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6,7-dimethyl-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 82112600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).