3-chloro-1-phenyl-1-quinolin-7-ylpropan-1-ol

C18H16ClNO — CID 116696208

IUPAC3-chloro-1-phenyl-1-quinolin-7-ylpropan-1-ol
SMILESOC(CCCl)(c1ccccc1)c1ccc2cccnc2c1
InChIInChI=1S/C18H16ClNO/c19-11-10-18(21,15-6-2-1-3-7-15)16-9-8-14-5-4-12-20-17(14)13-16/h1-9,12-13,21H,10-11H2
InChIKeyRWBSNRPHJRNESR-UHFFFAOYSA-N
MW297.79 g/mol
LogP4.10
Rot. Bonds4

About 3-chloro-1-phenyl-1-quinolin-7-ylpropan-1-ol

3-chloro-1-phenyl-1-quinolin-7-ylpropan-1-ol (PubChem CID 116696208) has the molecular formula C18H16ClNO and a molecular weight of 297.79 g/mol. Its IUPAC name is 3-chloro-1-phenyl-1-quinolin-7-ylpropan-1-ol.

Molecular Properties

Compound Name3-chloro-1-phenyl-1-quinolin-7-ylpropan-1-ol
PubChem CID116696208
Molecular FormulaC18H16ClNO
Molecular Weight297.79 g/mol
Exact Mass297.09
IUPAC Name3-chloro-1-phenyl-1-quinolin-7-ylpropan-1-ol
SMILESOC(CCCl)(c1ccccc1)c1ccc2cccnc2c1
InChIInChI=1S/C18H16ClNO/c19-11-10-18(21,15-6-2-1-3-7-15)16-9-8-14-5-4-12-20-17(14)13-16/h1-9,12-13,21H,10-11H2
InChIKeyRWBSNRPHJRNESR-UHFFFAOYSA-N
XLogP4.10
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(Hydroxymethyl)quinoline
CID 80479
(3R)-3-(4-Quinolin-6-ylphenyl)-1-azabicyclo[2.2.2]octan-3-ol
CID 10404387
alpha,alpha-Diphenyl-2-pyridineethanol
CID 234268
(3S)-3-(4-Quinolin-6-ylphenyl)-1-azabicyclo[2.2.2]octan-3-ol
CID 10314587
3-(4-Quinolin-3-yl-phenyl)-1-aza-bicyclo[2.2.2]octan-3-ol
CID 44331937
(2,4-Dichloro-3-phenylquinolin-6-yl)-phenyl-pyridin-3-ylmethanol
CID 117869774
4-Quinolin-3-ylphenol
CID 11746183
(2,4-Dichloro-3-phenylquinolin-6-yl)-phenyl-pyridin-4-ylmethanol
CID 117868837
(Quinolin-5-yl)methanol
CID 823080
Isoquinolin-1-yl(diphenyl)methanol
CID 230505
(4-Chlorophenyl)-(7-chloroquinolin-4-yl)-[4-(piperazin-1-ylmethyl)phenyl]methanol
CID 162658505
4-[1-[2-(Dimethylamino)ethyl]indol-6-yl]-1-methylpiperidin-4-ol
CID 18007502

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-phenyl-1-quinolin-7-ylpropan-1-ol?
The IUPAC name of 3-chloro-1-phenyl-1-quinolin-7-ylpropan-1-ol (CID 116696208) is 3-chloro-1-phenyl-1-quinolin-7-ylpropan-1-ol.
What is the SMILES notation for 3-chloro-1-phenyl-1-quinolin-7-ylpropan-1-ol?
The canonical SMILES for 3-chloro-1-phenyl-1-quinolin-7-ylpropan-1-ol is OC(CCCl)(c1ccccc1)c1ccc2cccnc2c1.
What is the InChIKey of 3-chloro-1-phenyl-1-quinolin-7-ylpropan-1-ol?
The InChIKey is RWBSNRPHJRNESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO/c19-11-10-18(21,15-6-2-1-3-7-15)16-9-8-14-5-4-12-20-17(14)13-16/h1-9,12-13,21H,10-11H2.
What are the key properties of 3-chloro-1-phenyl-1-quinolin-7-ylpropan-1-ol?
3-chloro-1-phenyl-1-quinolin-7-ylpropan-1-ol has a molecular weight of 297.79 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-phenyl-1-quinolin-7-ylpropan-1-ol is sourced from PubChem (CID 116696208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).