(5-chloroquinolin-8-yl)-(cyclohexen-1-yl)methanol

C16H16ClNO — CID 106651543

IUPAC(5-chloroquinolin-8-yl)-(cyclohexen-1-yl)methanol
SMILESOC(C1=CCCCC1)c1ccc(Cl)c2cccnc12
InChIInChI=1S/C16H16ClNO/c17-14-9-8-13(15-12(14)7-4-10-18-15)16(19)11-5-2-1-3-6-11/h4-5,7-10,16,19H,1-3,6H2
InChIKeyJHRASXRQYNNAAB-UHFFFAOYSA-N
MW273.76 g/mol
LogP4.42
Rot. Bonds2

About (5-chloroquinolin-8-yl)-(cyclohexen-1-yl)methanol

(5-chloroquinolin-8-yl)-(cyclohexen-1-yl)methanol (PubChem CID 106651543) has the molecular formula C16H16ClNO and a molecular weight of 273.76 g/mol. Its IUPAC name is (5-chloroquinolin-8-yl)-(cyclohexen-1-yl)methanol.

Molecular Properties

Compound Name(5-chloroquinolin-8-yl)-(cyclohexen-1-yl)methanol
PubChem CID106651543
Molecular FormulaC16H16ClNO
Molecular Weight273.76 g/mol
Exact Mass273.09
IUPAC Name(5-chloroquinolin-8-yl)-(cyclohexen-1-yl)methanol
SMILESOC(C1=CCCCC1)c1ccc(Cl)c2cccnc12
InChIInChI=1S/C16H16ClNO/c17-14-9-8-13(15-12(14)7-4-10-18-15)16(19)11-5-2-1-3-6-11/h4-5,7-10,16,19H,1-3,6H2
InChIKeyJHRASXRQYNNAAB-UHFFFAOYSA-N
XLogP4.42
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2-chloro-5-fluorophenyl)-(5-chloroquinolin-8-yl)methanol
CID 105394021
(5-chloroquinolin-8-yl)-(3-methyltriazol-4-yl)methanol
CID 114685420
1-(5-chloroquinolin-8-yl)-2,2-difluoroethanol
CID 112618208
(2-amino-4-methyl-3-pyridinyl)-(5-chloroquinolin-8-yl)methanol
CID 115960046
1-(5-chloroquinolin-8-yl)-2-phenylethanol
CID 112618238
(5-bromo-2-chlorophenyl)-(cyclohepten-1-yl)methanol
CID 63427383
cyclohepten-1-yl-(2,6-dichlorophenyl)methanol
CID 63427509
(5-bromo-3-methyltriazol-4-yl)-(5-chloroquinolin-8-yl)methanol
CID 106461386
(4-chloro-1-ethylpyrazol-5-yl)-(5-chloroquinolin-8-yl)methanol
CID 114638079
3-(5-chloro-8-hydroxyquinolin-7-yl)-3-(cyclohexen-1-yl)-2-phenoxypropanamide
CID 173160189
(3-bromo-2-chlorophenyl)-[(1E)-cycloocten-1-yl]methanol
CID 106657539
cyclohexen-1-yl(cyclopenten-1-yl)methanol
CID 19798316

Frequently Asked Questions

What is the IUPAC name of (5-chloroquinolin-8-yl)-(cyclohexen-1-yl)methanol?
The IUPAC name of (5-chloroquinolin-8-yl)-(cyclohexen-1-yl)methanol (CID 106651543) is (5-chloroquinolin-8-yl)-(cyclohexen-1-yl)methanol.
What is the SMILES notation for (5-chloroquinolin-8-yl)-(cyclohexen-1-yl)methanol?
The canonical SMILES for (5-chloroquinolin-8-yl)-(cyclohexen-1-yl)methanol is OC(C1=CCCCC1)c1ccc(Cl)c2cccnc12.
What is the InChIKey of (5-chloroquinolin-8-yl)-(cyclohexen-1-yl)methanol?
The InChIKey is JHRASXRQYNNAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO/c17-14-9-8-13(15-12(14)7-4-10-18-15)16(19)11-5-2-1-3-6-11/h4-5,7-10,16,19H,1-3,6H2.
What are the key properties of (5-chloroquinolin-8-yl)-(cyclohexen-1-yl)methanol?
(5-chloroquinolin-8-yl)-(cyclohexen-1-yl)methanol has a molecular weight of 273.76 g/mol, XLogP of 4.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloroquinolin-8-yl)-(cyclohexen-1-yl)methanol is sourced from PubChem (CID 106651543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).