1-methyl-2-[(E)-oct-1-enyl]-6,7-dihydroquinolin-4-one

C18H25NO — CID 142606835

IUPAC1-methyl-2-[(E)-oct-1-enyl]-6,7-dihydroquinolin-4-one
SMILESCCCCCC/C=C/c1cc(=O)c2c(n1C)=CCCC=2
InChIInChI=1S/C18H25NO/c1-3-4-5-6-7-8-11-15-14-18(20)16-12-9-10-13-17(16)19(15)2/h8,11-14H,3-7,9-10H2,1-2H3/b11-8+
InChIKeyJGOQGQCWRXUSBO-DHZHZOJOSA-N
MW271.40 g/mol
LogP2.72
Rot. Bonds6

About 1-methyl-2-[(E)-oct-1-enyl]-6,7-dihydroquinolin-4-one

1-methyl-2-[(E)-oct-1-enyl]-6,7-dihydroquinolin-4-one (PubChem CID 142606835) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 1-methyl-2-[(E)-oct-1-enyl]-6,7-dihydroquinolin-4-one.

Molecular Properties

Compound Name1-methyl-2-[(E)-oct-1-enyl]-6,7-dihydroquinolin-4-one
PubChem CID142606835
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name1-methyl-2-[(E)-oct-1-enyl]-6,7-dihydroquinolin-4-one
SMILESCCCCCC/C=C/c1cc(=O)c2c(n1C)=CCCC=2
InChIInChI=1S/C18H25NO/c1-3-4-5-6-7-8-11-15-14-18(20)16-12-9-10-13-17(16)19(15)2/h8,11-14H,3-7,9-10H2,1-2H3/b11-8+
InChIKeyJGOQGQCWRXUSBO-DHZHZOJOSA-N
XLogP2.72
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Quinoline, 1,5-dihydro-1-methyl-5-oxo-
CID 23423829
1,2,4-Trimethyl-1H-quinolin-5-one
CID 4051920
(1S)-1-ethenyl-7-[(E)-pent-1-enyl]-2,3-dihydro-1H-pyrrolo[1,2-a]quinolin-8-one
CID 134960675
1-(4-methyl-7,8,9,9a-tetrahydro-6H-quinolizin-3-yl)ethanone
CID 135038619
8-Fluoro-10-methyl-5,6-dihydroacridin-1-one
CID 88503580
1-Propyl-6,7-dihydroquinolin-5-one
CID 54409466
1-Propan-2-yl-2,3,7,8-tetrahydroquinolin-4-one
CID 58715561
6-Methyl-3,4-dihydroquinolizin-2-one
CID 70598331
1,2-Dimethylquinolin-7-one
CID 102042492
4-[5-(3,5-Dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)-1-octylpyrrol-2-ylidene]-2,6-dimethylcyclohexa-2,5-dien-1-one
CID 117849818
1-Methyl-2,6,7,8-tetrahydroquinolin-5-one
CID 118943943
3-methyl-2-[(E)-7-methyloct-5-enyl]-6,7-dihydro-1H-quinolin-4-one
CID 135128699

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[(E)-oct-1-enyl]-6,7-dihydroquinolin-4-one?
The IUPAC name of 1-methyl-2-[(E)-oct-1-enyl]-6,7-dihydroquinolin-4-one (CID 142606835) is 1-methyl-2-[(E)-oct-1-enyl]-6,7-dihydroquinolin-4-one.
What is the SMILES notation for 1-methyl-2-[(E)-oct-1-enyl]-6,7-dihydroquinolin-4-one?
The canonical SMILES for 1-methyl-2-[(E)-oct-1-enyl]-6,7-dihydroquinolin-4-one is CCCCCC/C=C/c1cc(=O)c2c(n1C)=CCCC=2.
What is the InChIKey of 1-methyl-2-[(E)-oct-1-enyl]-6,7-dihydroquinolin-4-one?
The InChIKey is JGOQGQCWRXUSBO-DHZHZOJOSA-N. The full InChI is InChI=1S/C18H25NO/c1-3-4-5-6-7-8-11-15-14-18(20)16-12-9-10-13-17(16)19(15)2/h8,11-14H,3-7,9-10H2,1-2H3/b11-8+.
What are the key properties of 1-methyl-2-[(E)-oct-1-enyl]-6,7-dihydroquinolin-4-one?
1-methyl-2-[(E)-oct-1-enyl]-6,7-dihydroquinolin-4-one has a molecular weight of 271.40 g/mol, XLogP of 2.72, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[(E)-oct-1-enyl]-6,7-dihydroquinolin-4-one is sourced from PubChem (CID 142606835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).