3-cyclohexyl-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one

C18H25NO — CID 2300886

IUPAC3-cyclohexyl-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
SMILESO=C(CCC1CCCCC1)N1CCCc2ccccc21
InChIInChI=1S/C18H25NO/c20-18(13-12-15-7-2-1-3-8-15)19-14-6-10-16-9-4-5-11-17(16)19/h4-5,9,11,15H,1-3,6-8,10,12-14H2
InChIKeySEWZKLBQGYRCJF-UHFFFAOYSA-N
MW271.40 g/mol
LogP4.33
Rot. Bonds3

About 3-cyclohexyl-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one

3-cyclohexyl-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one (PubChem CID 2300886) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 3-cyclohexyl-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-cyclohexyl-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
PubChem CID2300886
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name3-cyclohexyl-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
SMILESO=C(CCC1CCCCC1)N1CCCc2ccccc21
InChIInChI=1S/C18H25NO/c20-18(13-12-15-7-2-1-3-8-15)19-14-6-10-16-9-4-5-11-17(16)19/h4-5,9,11,15H,1-3,6-8,10,12-14H2
InChIKeySEWZKLBQGYRCJF-UHFFFAOYSA-N
XLogP4.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]pyrazolidine-3,5-dione
CID 110703723
1,9-bis(3,4-dihydro-2H-quinolin-1-yl)nonane-1,9-dione
CID 5158868
2-[cyclohexyl(methyl)amino]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 54817931
1-(3,4-dihydro-2H-quinolin-1-yl)-3-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]sulfanylpropan-1-one
CID 3609864
4-(3,4-dihydro-2H-quinolin-1-yl)-4-oxobutanoate
CID 3663082
N-cyclopentyl-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]acetamide
CID 113116402
1-[6-(2-bromo-2-methylpropyl)-3,4-dihydro-2H-quinolin-1-yl]-3-cyclohexylpropan-1-one
CID 82259604
1-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-3-cyclopentylpropan-1-one
CID 114335687
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-hydroxypiperidin-1-yl)ethanone
CID 26518777
1-(3,4-dihydro-2H-quinolin-1-yl)-2-piperidin-3-ylethanone
CID 62690706
3-cyclopropyl-1-(4-methyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)propan-1-one
CID 71931108
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one?
The IUPAC name of 3-cyclohexyl-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one (CID 2300886) is 3-cyclohexyl-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one.
What is the SMILES notation for 3-cyclohexyl-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one?
The canonical SMILES for 3-cyclohexyl-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one is O=C(CCC1CCCCC1)N1CCCc2ccccc21.
What is the InChIKey of 3-cyclohexyl-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one?
The InChIKey is SEWZKLBQGYRCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c20-18(13-12-15-7-2-1-3-8-15)19-14-6-10-16-9-4-5-11-17(16)19/h4-5,9,11,15H,1-3,6-8,10,12-14H2.
What are the key properties of 3-cyclohexyl-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one?
3-cyclohexyl-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one has a molecular weight of 271.40 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one is sourced from PubChem (CID 2300886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).