3-quinolin-4-ylpropan-1-ol

C12H13NO — CID 21218471

IUPAC3-quinolin-4-ylpropan-1-ol
SMILESOCCCc1ccnc2ccccc12
InChIInChI=1S/C12H13NO/c14-9-3-4-10-7-8-13-12-6-2-1-5-11(10)12/h1-2,5-8,14H,3-4,9H2
InChIKeyJCOQCMUTFYREPZ-UHFFFAOYSA-N
MW187.24 g/mol
LogP2.16
Rot. Bonds3

About 3-quinolin-4-ylpropan-1-ol

3-quinolin-4-ylpropan-1-ol (PubChem CID 21218471) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 3-quinolin-4-ylpropan-1-ol.

Molecular Properties

Compound Name3-quinolin-4-ylpropan-1-ol
PubChem CID21218471
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name3-quinolin-4-ylpropan-1-ol
SMILESOCCCc1ccnc2ccccc12
InChIInChI=1S/C12H13NO/c14-9-3-4-10-7-8-13-12-6-2-1-5-11(10)12/h1-2,5-8,14H,3-4,9H2
InChIKeyJCOQCMUTFYREPZ-UHFFFAOYSA-N
XLogP2.16
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-quinolin-4-ylbutan-1-amine
CID 10559963
5-quinolin-4-ylpentan-1-amine
CID 71089574
6-quinolin-4-ylhexan-2-ol
CID 90935921
2-benzo[h][1,6]naphthyridin-4-ylethanol
CID 86253335
4-(2-pyridin-4-ylethyl)quinoline
CID 70184039
3-naphthalen-1-ylpropan-1-ol
CID 14711518
4-(2-methyl-13-quinolin-4-yltridecan-2-yl)quinoline
CID 67368274
1-quinolin-4-ylbutan-2-one
CID 15695851
4-(3-methylidenepent-4-enyl)quinoline
CID 87131912
(4R)-4-amino-4-quinolin-4-ylbutan-1-ol;hydrochloride
CID 171217020
(2S)-3-methyl-2-(quinolin-4-ylmethylamino)butan-1-ol
CID 79253789
4-(quinolin-4-ylmethyl)phenol
CID 83128983

Frequently Asked Questions

What is the IUPAC name of 3-quinolin-4-ylpropan-1-ol?
The IUPAC name of 3-quinolin-4-ylpropan-1-ol (CID 21218471) is 3-quinolin-4-ylpropan-1-ol.
What is the SMILES notation for 3-quinolin-4-ylpropan-1-ol?
The canonical SMILES for 3-quinolin-4-ylpropan-1-ol is OCCCc1ccnc2ccccc12.
What is the InChIKey of 3-quinolin-4-ylpropan-1-ol?
The InChIKey is JCOQCMUTFYREPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c14-9-3-4-10-7-8-13-12-6-2-1-5-11(10)12/h1-2,5-8,14H,3-4,9H2.
What are the key properties of 3-quinolin-4-ylpropan-1-ol?
3-quinolin-4-ylpropan-1-ol has a molecular weight of 187.24 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-quinolin-4-ylpropan-1-ol is sourced from PubChem (CID 21218471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).