4-methyl-1-quinolin-8-ylhex-5-en-1-one

C16H17NO — CID 100969950

IUPAC4-methyl-1-quinolin-8-ylhex-5-en-1-one
SMILESC=CC(C)CCC(=O)c1cccc2cccnc12
InChIInChI=1S/C16H17NO/c1-3-12(2)9-10-15(18)14-8-4-6-13-7-5-11-17-16(13)14/h3-8,11-12H,1,9-10H2,2H3
InChIKeyBBCGTECEYLIREN-UHFFFAOYSA-N
MW239.32 g/mol
LogP4.02
Rot. Bonds5

About 4-methyl-1-quinolin-8-ylhex-5-en-1-one

4-methyl-1-quinolin-8-ylhex-5-en-1-one (PubChem CID 100969950) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 4-methyl-1-quinolin-8-ylhex-5-en-1-one.

Molecular Properties

Compound Name4-methyl-1-quinolin-8-ylhex-5-en-1-one
PubChem CID100969950
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name4-methyl-1-quinolin-8-ylhex-5-en-1-one
SMILESC=CC(C)CCC(=O)c1cccc2cccnc12
InChIInChI=1S/C16H17NO/c1-3-12(2)9-10-15(18)14-8-4-6-13-7-5-11-17-16(13)14/h3-8,11-12H,1,9-10H2,2H3
InChIKeyBBCGTECEYLIREN-UHFFFAOYSA-N
XLogP4.02
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,5-dimethyl-1-quinolin-8-ylhexan-1-one
CID 114201644
methyl (E)-6-oxo-6-quinolin-8-ylhex-2-enoate
CID 167613038
4-phenyl-1-quinolin-8-ylbutan-1-one
CID 105093201
2-ethylsulfanyl-1-quinolin-8-ylethanone
CID 81220485
2-phenyl-1-quinolin-8-ylethanone
CID 10999362
N-(4-bromobutan-2-yl)quinoline-8-carboxamide
CID 83178653
[(2R)-1-oxo-1-(prop-2-enylamino)propan-2-yl] quinoline-8-carboxylate
CID 9061879
2-ethoxy-1-quinolin-8-ylpropan-1-one
CID 81220113
N-(3-hydroxybutyl)-N-methylquinoline-8-carboxamide
CID 115673293
palladium;quinoline-8-carboxylic acid
CID 174945118
N-(3-bromopropyl)-N-propan-2-ylquinoline-8-carboxamide
CID 80662580
2-(4-iodophenyl)-1-quinolin-8-ylethanone
CID 105103153

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-quinolin-8-ylhex-5-en-1-one?
The IUPAC name of 4-methyl-1-quinolin-8-ylhex-5-en-1-one (CID 100969950) is 4-methyl-1-quinolin-8-ylhex-5-en-1-one.
What is the SMILES notation for 4-methyl-1-quinolin-8-ylhex-5-en-1-one?
The canonical SMILES for 4-methyl-1-quinolin-8-ylhex-5-en-1-one is C=CC(C)CCC(=O)c1cccc2cccnc12.
What is the InChIKey of 4-methyl-1-quinolin-8-ylhex-5-en-1-one?
The InChIKey is BBCGTECEYLIREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-3-12(2)9-10-15(18)14-8-4-6-13-7-5-11-17-16(13)14/h3-8,11-12H,1,9-10H2,2H3.
What are the key properties of 4-methyl-1-quinolin-8-ylhex-5-en-1-one?
4-methyl-1-quinolin-8-ylhex-5-en-1-one has a molecular weight of 239.32 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-quinolin-8-ylhex-5-en-1-one is sourced from PubChem (CID 100969950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).