3-cyclohexyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-one

C18H25NO — CID 115782065

IUPAC3-cyclohexyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-one
SMILESO=C(CCC1CCCCC1)C1CCCc2cccnc21
InChIInChI=1S/C18H25NO/c20-17(12-11-14-6-2-1-3-7-14)16-10-4-8-15-9-5-13-19-18(15)16/h5,9,13-14,16H,1-4,6-8,10-12H2
InChIKeyRQRACLWJGIDJFQ-UHFFFAOYSA-N
MW271.40 g/mol
LogP4.43
Rot. Bonds4

About 3-cyclohexyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-one

3-cyclohexyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-one (PubChem CID 115782065) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 3-cyclohexyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-one.

Molecular Properties

Compound Name3-cyclohexyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-one
PubChem CID115782065
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name3-cyclohexyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-one
SMILESO=C(CCC1CCCCC1)C1CCCc2cccnc21
InChIInChI=1S/C18H25NO/c20-17(12-11-14-6-2-1-3-7-14)16-10-4-8-15-9-5-13-19-18(15)16/h5,9,13-14,16H,1-4,6-8,10-12H2
InChIKeyRQRACLWJGIDJFQ-UHFFFAOYSA-N
XLogP4.43
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-one
CID 79745424
2-cyclohexylsulfanyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone
CID 79745816
3-methoxy-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-one
CID 79745653
2-methylsulfonyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone
CID 115782115
4-(methylamino)-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-one
CID 116555632
1-(5,6,7,8-tetrahydroquinolin-8-yl)-2-(thian-4-yl)ethanone
CID 105114234
2-pyridin-4-yl-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone
CID 79746027
2-oxo-2-(5,6,7,8-tetrahydroquinolin-8-yl)acetic acid
CID 130855424
3,5,5-trimethyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)hexan-1-one
CID 115782125
1-(5,6,7,8-tetrahydroquinolin-8-yl)-4-thiophen-2-ylbutan-1-one
CID 105114181
2-(3-methylphenyl)-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone
CID 79745952
2-cyclopentylsulfanyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanone
CID 79745664

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-one?
The IUPAC name of 3-cyclohexyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-one (CID 115782065) is 3-cyclohexyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-one.
What is the SMILES notation for 3-cyclohexyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-one?
The canonical SMILES for 3-cyclohexyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-one is O=C(CCC1CCCCC1)C1CCCc2cccnc21.
What is the InChIKey of 3-cyclohexyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-one?
The InChIKey is RQRACLWJGIDJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c20-17(12-11-14-6-2-1-3-7-14)16-10-4-8-15-9-5-13-19-18(15)16/h5,9,13-14,16H,1-4,6-8,10-12H2.
What are the key properties of 3-cyclohexyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-one?
3-cyclohexyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-one has a molecular weight of 271.40 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-one is sourced from PubChem (CID 115782065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).