1-[hydroxy(quinolin-8-yl)methyl]cycloheptan-1-ol

C17H21NO2 — CID 103451995

IUPAC1-[hydroxy(quinolin-8-yl)methyl]cycloheptan-1-ol
SMILESOC(c1cccc2cccnc12)C1(O)CCCCCC1
InChIInChI=1S/C17H21NO2/c19-16(17(20)10-3-1-2-4-11-17)14-9-5-7-13-8-6-12-18-15(13)14/h5-9,12,16,19-20H,1-4,10-11H2
InChIKeyJQDHHYBMBLXFOH-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.35
Rot. Bonds2

About 1-[hydroxy(quinolin-8-yl)methyl]cycloheptan-1-ol

1-[hydroxy(quinolin-8-yl)methyl]cycloheptan-1-ol (PubChem CID 103451995) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-[hydroxy(quinolin-8-yl)methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[hydroxy(quinolin-8-yl)methyl]cycloheptan-1-ol
PubChem CID103451995
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name1-[hydroxy(quinolin-8-yl)methyl]cycloheptan-1-ol
SMILESOC(c1cccc2cccnc12)C1(O)CCCCCC1
InChIInChI=1S/C17H21NO2/c19-16(17(20)10-3-1-2-4-11-17)14-9-5-7-13-8-6-12-18-15(13)14/h5-9,12,16,19-20H,1-4,10-11H2
InChIKeyJQDHHYBMBLXFOH-UHFFFAOYSA-N
XLogP3.35
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[hydroxy(naphthalen-1-yl)methyl]cycloheptan-1-ol
CID 103451980
1-cyclohexyl-2-quinolin-8-ylethane-1,2-diol
CID 103459066
[1-(aminomethyl)-3-methylcyclopentyl]-quinolin-8-ylmethanol
CID 79124362
1-(1-ethylcyclopentyl)-N-methyl-1-quinolin-8-ylmethanamine
CID 105021283
N-methyl-1-(2-methyloxan-2-yl)-1-quinolin-8-ylmethanamine
CID 81224497
2-cyclopentyl-1-quinolin-8-ylethanol
CID 65149248
8-(dichloromethyl)quinoline
CID 19989328
2-amino-1-quinolin-8-ylpropan-1-ol
CID 63969290
1-quinolin-8-ylcycloheptan-1-amine
CID 81216592
N-[(2-methyloxan-2-yl)-quinolin-8-ylmethyl]ethanamine
CID 81229913
2-(cycloheptylamino)-2-quinolin-8-ylethanol
CID 63970830
1-[hydroxy(quinolin-3-yl)methyl]cycloheptan-1-ol
CID 103452070

Frequently Asked Questions

What is the IUPAC name of 1-[hydroxy(quinolin-8-yl)methyl]cycloheptan-1-ol?
The IUPAC name of 1-[hydroxy(quinolin-8-yl)methyl]cycloheptan-1-ol (CID 103451995) is 1-[hydroxy(quinolin-8-yl)methyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[hydroxy(quinolin-8-yl)methyl]cycloheptan-1-ol?
The canonical SMILES for 1-[hydroxy(quinolin-8-yl)methyl]cycloheptan-1-ol is OC(c1cccc2cccnc12)C1(O)CCCCCC1.
What is the InChIKey of 1-[hydroxy(quinolin-8-yl)methyl]cycloheptan-1-ol?
The InChIKey is JQDHHYBMBLXFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c19-16(17(20)10-3-1-2-4-11-17)14-9-5-7-13-8-6-12-18-15(13)14/h5-9,12,16,19-20H,1-4,10-11H2.
What are the key properties of 1-[hydroxy(quinolin-8-yl)methyl]cycloheptan-1-ol?
1-[hydroxy(quinolin-8-yl)methyl]cycloheptan-1-ol has a molecular weight of 271.36 g/mol, XLogP of 3.35, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[hydroxy(quinolin-8-yl)methyl]cycloheptan-1-ol is sourced from PubChem (CID 103451995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).