3,5-dimethyl-1-quinolin-8-ylhexan-1-one

C17H21NO — CID 114201644

IUPAC3,5-dimethyl-1-quinolin-8-ylhexan-1-one
SMILESCC(C)CC(C)CC(=O)c1cccc2cccnc12
InChIInChI=1S/C17H21NO/c1-12(2)10-13(3)11-16(19)15-8-4-6-14-7-5-9-18-17(14)15/h4-9,12-13H,10-11H2,1-3H3
InChIKeyRBSODSMWPXVQSX-UHFFFAOYSA-N
MW255.36 g/mol
LogP4.49
Rot. Bonds5

About 3,5-dimethyl-1-quinolin-8-ylhexan-1-one

3,5-dimethyl-1-quinolin-8-ylhexan-1-one (PubChem CID 114201644) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 3,5-dimethyl-1-quinolin-8-ylhexan-1-one.

Molecular Properties

Compound Name3,5-dimethyl-1-quinolin-8-ylhexan-1-one
PubChem CID114201644
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name3,5-dimethyl-1-quinolin-8-ylhexan-1-one
SMILESCC(C)CC(C)CC(=O)c1cccc2cccnc12
InChIInChI=1S/C17H21NO/c1-12(2)10-13(3)11-16(19)15-8-4-6-14-7-5-9-18-17(14)15/h4-9,12-13H,10-11H2,1-3H3
InChIKeyRBSODSMWPXVQSX-UHFFFAOYSA-N
XLogP4.49
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-1-quinolin-8-ylhex-5-en-1-one
CID 100969950
2-ethylsulfanyl-1-quinolin-8-ylethanone
CID 81220485
2-phenyl-1-quinolin-8-ylethanone
CID 10999362
2-ethoxy-1-quinolin-8-ylpropan-1-one
CID 81220113
1-quinolin-8-ylprop-2-yn-1-one
CID 105108252
palladium;quinoline-8-carboxylic acid
CID 174945118
2-(4-iodophenyl)-1-quinolin-8-ylethanone
CID 105103153
2-(2,3-dichlorophenyl)-1-quinolin-8-ylethanone
CID 107311695
N-(4-bromobutan-2-yl)quinoline-8-carboxamide
CID 83178653
pyrimidin-2-yl(quinolin-8-yl)methanone
CID 81220703
N-pyrimidin-2-ylquinoline-8-carboxamide
CID 175780986
(2-ethylphenyl)-quinolin-8-ylmethanone
CID 115790630

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-quinolin-8-ylhexan-1-one?
The IUPAC name of 3,5-dimethyl-1-quinolin-8-ylhexan-1-one (CID 114201644) is 3,5-dimethyl-1-quinolin-8-ylhexan-1-one.
What is the SMILES notation for 3,5-dimethyl-1-quinolin-8-ylhexan-1-one?
The canonical SMILES for 3,5-dimethyl-1-quinolin-8-ylhexan-1-one is CC(C)CC(C)CC(=O)c1cccc2cccnc12.
What is the InChIKey of 3,5-dimethyl-1-quinolin-8-ylhexan-1-one?
The InChIKey is RBSODSMWPXVQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-12(2)10-13(3)11-16(19)15-8-4-6-14-7-5-9-18-17(14)15/h4-9,12-13H,10-11H2,1-3H3.
What are the key properties of 3,5-dimethyl-1-quinolin-8-ylhexan-1-one?
3,5-dimethyl-1-quinolin-8-ylhexan-1-one has a molecular weight of 255.36 g/mol, XLogP of 4.49, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-quinolin-8-ylhexan-1-one is sourced from PubChem (CID 114201644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).