2-cycloheptyl-1-quinolin-6-ylethanol

C18H23NO — CID 115826801

IUPAC2-cycloheptyl-1-quinolin-6-ylethanol
SMILESOC(CC1CCCCCC1)c1ccc2ncccc2c1
InChIInChI=1S/C18H23NO/c20-18(12-14-6-3-1-2-4-7-14)16-9-10-17-15(13-16)8-5-11-19-17/h5,8-11,13-14,18,20H,1-4,6-7,12H2
InChIKeyYIRDXCUPEVJWQI-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.63
Rot. Bonds3

About 2-cycloheptyl-1-quinolin-6-ylethanol

2-cycloheptyl-1-quinolin-6-ylethanol (PubChem CID 115826801) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-cycloheptyl-1-quinolin-6-ylethanol.

Molecular Properties

Compound Name2-cycloheptyl-1-quinolin-6-ylethanol
PubChem CID115826801
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name2-cycloheptyl-1-quinolin-6-ylethanol
SMILESOC(CC1CCCCCC1)c1ccc2ncccc2c1
InChIInChI=1S/C18H23NO/c20-18(12-14-6-3-1-2-4-7-14)16-9-10-17-15(13-16)8-5-11-19-17/h5,8-11,13-14,18,20H,1-4,6-7,12H2
InChIKeyYIRDXCUPEVJWQI-UHFFFAOYSA-N
XLogP4.63
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S)-2-hydroxy-2-quinolin-6-ylethyl]azanium
CID 7016270
[cyclopentyl(quinolin-6-yl)methyl]hydrazine
CID 105204471
cycloheptyl(quinolin-7-yl)methanol
CID 81216722
4-(oxolan-2-yl)-1-quinolin-6-ylbutan-1-ol
CID 65161611
2-cyclohexyl-1-pyridin-3-ylethanol
CID 22768104
2-cyclohexyl-1-(3,4-dichlorophenyl)ethanol
CID 63426977
(2-cyclopentyl-1-quinolin-7-ylethyl)hydrazine
CID 105327558
3-pyrrolidin-1-yl-1-quinolin-6-ylpropan-1-ol
CID 144811689
3-cyclopentyl-N-methyl-1-quinolin-6-ylpropan-1-amine
CID 105021015
2-cyclohexyl-1-pyridin-4-ylethanol
CID 62606485
N-[cyclohexyl(quinolin-6-yl)methyl]propan-1-amine
CID 63095807
2-(1,1-dioxothiolan-3-yl)-1-quinolin-7-ylethanol
CID 105118989

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-1-quinolin-6-ylethanol?
The IUPAC name of 2-cycloheptyl-1-quinolin-6-ylethanol (CID 115826801) is 2-cycloheptyl-1-quinolin-6-ylethanol.
What is the SMILES notation for 2-cycloheptyl-1-quinolin-6-ylethanol?
The canonical SMILES for 2-cycloheptyl-1-quinolin-6-ylethanol is OC(CC1CCCCCC1)c1ccc2ncccc2c1.
What is the InChIKey of 2-cycloheptyl-1-quinolin-6-ylethanol?
The InChIKey is YIRDXCUPEVJWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c20-18(12-14-6-3-1-2-4-7-14)16-9-10-17-15(13-16)8-5-11-19-17/h5,8-11,13-14,18,20H,1-4,6-7,12H2.
What are the key properties of 2-cycloheptyl-1-quinolin-6-ylethanol?
2-cycloheptyl-1-quinolin-6-ylethanol has a molecular weight of 269.39 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-1-quinolin-6-ylethanol is sourced from PubChem (CID 115826801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).