8-propan-2-yl-7,8-dihydro-5H-quinolin-6-one

C12H15NO — CID 160543917

IUPAC8-propan-2-yl-7,8-dihydro-5H-quinolin-6-one
SMILESCC(C)C1CC(=O)Cc2cccnc21
InChIInChI=1S/C12H15NO/c1-8(2)11-7-10(14)6-9-4-3-5-13-12(9)11/h3-5,8,11H,6-7H2,1-2H3
InChIKeyMTFBEGWPVFAISX-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.34
Rot. Bonds1

About 8-propan-2-yl-7,8-dihydro-5H-quinolin-6-one

8-propan-2-yl-7,8-dihydro-5H-quinolin-6-one (PubChem CID 160543917) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 8-propan-2-yl-7,8-dihydro-5H-quinolin-6-one.

Molecular Properties

Compound Name8-propan-2-yl-7,8-dihydro-5H-quinolin-6-one
PubChem CID160543917
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name8-propan-2-yl-7,8-dihydro-5H-quinolin-6-one
SMILESCC(C)C1CC(=O)Cc2cccnc21
InChIInChI=1S/C12H15NO/c1-8(2)11-7-10(14)6-9-4-3-5-13-12(9)11/h3-5,8,11H,6-7H2,1-2H3
InChIKeyMTFBEGWPVFAISX-UHFFFAOYSA-N
XLogP2.34
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(8R)-8-propan-2-yl-5,6,7,8-tetrahydroquinoline
CID 58752937
(9S)-9-tri(propan-2-yl)silyloxy-5,7,8,9-tetrahydrocyclohepta[b]pyridin-6-one
CID 67438705
1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanol
CID 79739208
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine
CID 79740244
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-3-methylbutan-1-amine
CID 79748029
3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)cycloheptan-1-one
CID 79738183
2-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-amine
CID 81021345
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-ethyl-2,3-dimethylbutan-1-amine
CID 105009967
3-(5,6,7,8-tetrahydroquinolin-8-yl)butanoic acid
CID 81009137
(7S)-6,7-diethyl-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 89333129
8-pentan-2-yl-5,6,7,8-tetrahydroquinoline
CID 67125718
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-ethylpentan-1-amine
CID 79747782

Frequently Asked Questions

What is the IUPAC name of 8-propan-2-yl-7,8-dihydro-5H-quinolin-6-one?
The IUPAC name of 8-propan-2-yl-7,8-dihydro-5H-quinolin-6-one (CID 160543917) is 8-propan-2-yl-7,8-dihydro-5H-quinolin-6-one.
What is the SMILES notation for 8-propan-2-yl-7,8-dihydro-5H-quinolin-6-one?
The canonical SMILES for 8-propan-2-yl-7,8-dihydro-5H-quinolin-6-one is CC(C)C1CC(=O)Cc2cccnc21.
What is the InChIKey of 8-propan-2-yl-7,8-dihydro-5H-quinolin-6-one?
The InChIKey is MTFBEGWPVFAISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-8(2)11-7-10(14)6-9-4-3-5-13-12(9)11/h3-5,8,11H,6-7H2,1-2H3.
What are the key properties of 8-propan-2-yl-7,8-dihydro-5H-quinolin-6-one?
8-propan-2-yl-7,8-dihydro-5H-quinolin-6-one has a molecular weight of 189.26 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-propan-2-yl-7,8-dihydro-5H-quinolin-6-one is sourced from PubChem (CID 160543917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).