3-quinolin-2-ylpropan-1-ol;dihydrochloride

C12H15Cl2NO — CID 175501927

IUPAC3-quinolin-2-ylpropan-1-ol;dihydrochloride
SMILESCl.Cl.OCCCc1ccc2ccccc2n1
InChIInChI=1S/C12H13NO.2ClH/c14-9-3-5-11-8-7-10-4-1-2-6-12(10)13-11;;/h1-2,4,6-8,14H,3,5,9H2;2*1H
InChIKeyKOPRPQVLARDLEU-UHFFFAOYSA-N
MW260.16 g/mol
LogP3.00
Rot. Bonds3

About 3-quinolin-2-ylpropan-1-ol;dihydrochloride

3-quinolin-2-ylpropan-1-ol;dihydrochloride (PubChem CID 175501927) has the molecular formula C12H15Cl2NO and a molecular weight of 260.16 g/mol. Its IUPAC name is 3-quinolin-2-ylpropan-1-ol;dihydrochloride.

Molecular Properties

Compound Name3-quinolin-2-ylpropan-1-ol;dihydrochloride
PubChem CID175501927
Molecular FormulaC12H15Cl2NO
Molecular Weight260.16 g/mol
Exact Mass259.05
IUPAC Name3-quinolin-2-ylpropan-1-ol;dihydrochloride
SMILESCl.Cl.OCCCc1ccc2ccccc2n1
InChIInChI=1S/C12H13NO.2ClH/c14-9-3-5-11-8-7-10-4-1-2-6-12(10)13-11;;/h1-2,4,6-8,14H,3,5,9H2;2*1H
InChIKeyKOPRPQVLARDLEU-UHFFFAOYSA-N
XLogP3.00
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.16
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-quinolin-2-ylpropan-1-ol;dihydrochloride?
The IUPAC name of 3-quinolin-2-ylpropan-1-ol;dihydrochloride (CID 175501927) is 3-quinolin-2-ylpropan-1-ol;dihydrochloride.
What is the SMILES notation for 3-quinolin-2-ylpropan-1-ol;dihydrochloride?
The canonical SMILES for 3-quinolin-2-ylpropan-1-ol;dihydrochloride is Cl.Cl.OCCCc1ccc2ccccc2n1.
What is the InChIKey of 3-quinolin-2-ylpropan-1-ol;dihydrochloride?
The InChIKey is KOPRPQVLARDLEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO.2ClH/c14-9-3-5-11-8-7-10-4-1-2-6-12(10)13-11;;/h1-2,4,6-8,14H,3,5,9H2;2*1H.
What are the key properties of 3-quinolin-2-ylpropan-1-ol;dihydrochloride?
3-quinolin-2-ylpropan-1-ol;dihydrochloride has a molecular weight of 260.16 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-quinolin-2-ylpropan-1-ol;dihydrochloride is sourced from PubChem (CID 175501927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).