1-[hydroxy(quinolin-3-yl)methyl]cycloheptan-1-ol

C17H21NO2 — CID 103452070

IUPAC1-[hydroxy(quinolin-3-yl)methyl]cycloheptan-1-ol
SMILESOC(c1cnc2ccccc2c1)C1(O)CCCCCC1
InChIInChI=1S/C17H21NO2/c19-16(17(20)9-5-1-2-6-10-17)14-11-13-7-3-4-8-15(13)18-12-14/h3-4,7-8,11-12,16,19-20H,1-2,5-6,9-10H2
InChIKeyNEXUUNAUOFENFX-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.35
Rot. Bonds2

About 1-[hydroxy(quinolin-3-yl)methyl]cycloheptan-1-ol

1-[hydroxy(quinolin-3-yl)methyl]cycloheptan-1-ol (PubChem CID 103452070) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-[hydroxy(quinolin-3-yl)methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[hydroxy(quinolin-3-yl)methyl]cycloheptan-1-ol
PubChem CID103452070
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name1-[hydroxy(quinolin-3-yl)methyl]cycloheptan-1-ol
SMILESOC(c1cnc2ccccc2c1)C1(O)CCCCCC1
InChIInChI=1S/C17H21NO2/c19-16(17(20)9-5-1-2-6-10-17)14-11-13-7-3-4-8-15(13)18-12-14/h3-4,7-8,11-12,16,19-20H,1-2,5-6,9-10H2
InChIKeyNEXUUNAUOFENFX-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-methoxycycloheptyl)-quinolin-3-ylmethanol
CID 116755913
(2-methyloxan-2-yl)-quinolin-3-ylmethanol
CID 80684863
1-(2-piperazin-1-yl-1-quinolin-3-ylethyl)cyclohexan-1-ol
CID 11256286
fluoro(quinolin-3-yl)methanol
CID 163892772
[(1-methylcyclopentyl)-quinolin-3-ylmethyl]hydrazine
CID 105286886
2,2-dimethyl-1-quinolin-3-ylpropan-1-ol
CID 60924299
2-cyclohexylsulfanyl-1-quinolin-3-ylethanol
CID 65140040
1-quinolin-3-ylbutan-1-ol
CID 60924193
(4-chlorophenyl)-quinolin-3-ylmethanol
CID 20794845
(4-methylphenyl)-quinolin-3-ylmethanol
CID 60924632
(5-methylpyrazin-2-yl)-quinolin-3-ylmethanol
CID 105079360
(1-methylcyclopentyl)-quinolin-6-ylmethanol
CID 115826798

Frequently Asked Questions

What is the IUPAC name of 1-[hydroxy(quinolin-3-yl)methyl]cycloheptan-1-ol?
The IUPAC name of 1-[hydroxy(quinolin-3-yl)methyl]cycloheptan-1-ol (CID 103452070) is 1-[hydroxy(quinolin-3-yl)methyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[hydroxy(quinolin-3-yl)methyl]cycloheptan-1-ol?
The canonical SMILES for 1-[hydroxy(quinolin-3-yl)methyl]cycloheptan-1-ol is OC(c1cnc2ccccc2c1)C1(O)CCCCCC1.
What is the InChIKey of 1-[hydroxy(quinolin-3-yl)methyl]cycloheptan-1-ol?
The InChIKey is NEXUUNAUOFENFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c19-16(17(20)9-5-1-2-6-10-17)14-11-13-7-3-4-8-15(13)18-12-14/h3-4,7-8,11-12,16,19-20H,1-2,5-6,9-10H2.
What are the key properties of 1-[hydroxy(quinolin-3-yl)methyl]cycloheptan-1-ol?
1-[hydroxy(quinolin-3-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-3-yl)methyl]cycloheptan-1-ol is sourced from PubChem (CID 103452070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).