3-(3-methylquinolin-2-yl)propan-1-ol;hydrochloride

C13H16ClNO — CID 90669010

IUPAC3-(3-methylquinolin-2-yl)propan-1-ol;hydrochloride
SMILESCc1cc2ccccc2nc1CCCO.Cl
InChIInChI=1S/C13H15NO.ClH/c1-10-9-11-5-2-3-6-13(11)14-12(10)7-4-8-15;/h2-3,5-6,9,15H,4,7-8H2,1H3;1H
InChIKeyWZZAWPHEVFHYFX-UHFFFAOYSA-N
MW237.73 g/mol
LogP2.89
Rot. Bonds3

About 3-(3-methylquinolin-2-yl)propan-1-ol;hydrochloride

3-(3-methylquinolin-2-yl)propan-1-ol;hydrochloride (PubChem CID 90669010) has the molecular formula C13H16ClNO and a molecular weight of 237.73 g/mol. Its IUPAC name is 3-(3-methylquinolin-2-yl)propan-1-ol;hydrochloride.

Molecular Properties

Compound Name3-(3-methylquinolin-2-yl)propan-1-ol;hydrochloride
PubChem CID90669010
Molecular FormulaC13H16ClNO
Molecular Weight237.73 g/mol
Exact Mass237.09
IUPAC Name3-(3-methylquinolin-2-yl)propan-1-ol;hydrochloride
SMILESCc1cc2ccccc2nc1CCCO.Cl
InChIInChI=1S/C13H15NO.ClH/c1-10-9-11-5-2-3-6-13(11)14-12(10)7-4-8-15;/h2-3,5-6,9,15H,4,7-8H2,1H3;1H
InChIKeyWZZAWPHEVFHYFX-UHFFFAOYSA-N
XLogP2.89
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylquinolin-2-yl)propan-1-ol;hydrochloride?
The IUPAC name of 3-(3-methylquinolin-2-yl)propan-1-ol;hydrochloride (CID 90669010) is 3-(3-methylquinolin-2-yl)propan-1-ol;hydrochloride.
What is the SMILES notation for 3-(3-methylquinolin-2-yl)propan-1-ol;hydrochloride?
The canonical SMILES for 3-(3-methylquinolin-2-yl)propan-1-ol;hydrochloride is Cc1cc2ccccc2nc1CCCO.Cl.
What is the InChIKey of 3-(3-methylquinolin-2-yl)propan-1-ol;hydrochloride?
The InChIKey is WZZAWPHEVFHYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO.ClH/c1-10-9-11-5-2-3-6-13(11)14-12(10)7-4-8-15;/h2-3,5-6,9,15H,4,7-8H2,1H3;1H.
What are the key properties of 3-(3-methylquinolin-2-yl)propan-1-ol;hydrochloride?
3-(3-methylquinolin-2-yl)propan-1-ol;hydrochloride has a molecular weight of 237.73 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylquinolin-2-yl)propan-1-ol;hydrochloride is sourced from PubChem (CID 90669010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).