4-amino-3-quinolin-2-ylbutan-1-ol

C13H16N2O — CID 66089092

IUPAC4-amino-3-quinolin-2-ylbutan-1-ol
SMILESNCC(CCO)c1ccc2ccccc2n1
InChIInChI=1S/C13H16N2O/c14-9-11(7-8-16)13-6-5-10-3-1-2-4-12(10)15-13/h1-6,11,16H,7-9,14H2
InChIKeyTXIWSKNDJUHBKD-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.66
Rot. Bonds4

About 4-amino-3-quinolin-2-ylbutan-1-ol

4-amino-3-quinolin-2-ylbutan-1-ol (PubChem CID 66089092) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 4-amino-3-quinolin-2-ylbutan-1-ol.

Molecular Properties

Compound Name4-amino-3-quinolin-2-ylbutan-1-ol
PubChem CID66089092
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name4-amino-3-quinolin-2-ylbutan-1-ol
SMILESNCC(CCO)c1ccc2ccccc2n1
InChIInChI=1S/C13H16N2O/c14-9-11(7-8-16)13-6-5-10-3-1-2-4-12(10)15-13/h1-6,11,16H,7-9,14H2
InChIKeyTXIWSKNDJUHBKD-UHFFFAOYSA-N
XLogP1.66
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-amino-3-quinolin-2-ylpropan-1-ol
CID 96860354
(1S)-2-amino-1-quinolin-2-ylethanol
CID 96808696
4-amino-1-quinolin-2-ylbutane-1,2-diol
CID 171881473
(1R)-1-quinolin-2-ylbutane-1,4-diamine
CID 171216930
(1S)-1-quinolin-2-ylbutane-1,4-diamine
CID 171236567
amino(quinolin-2-yl)methanol
CID 154237779
3-amino-2-(1,2,4-benzotriazin-3-yl)propan-1-ol
CID 103205062
3-amino-2,2-dimethyl-1-quinolin-2-ylpropan-1-ol
CID 79125016
(1S)-1-quinolin-2-ylpropan-1-amine;hydrochloride
CID 171236572
4-amino-3-(5-methyl-2-pyridinyl)butan-1-ol
CID 81319366
(1S)-1-quinolin-2-ylethanamine;hydrochloride
CID 171236571
(1R)-1-quinolin-2-ylethanamine;hydrochloride
CID 171216934

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-quinolin-2-ylbutan-1-ol?
The IUPAC name of 4-amino-3-quinolin-2-ylbutan-1-ol (CID 66089092) is 4-amino-3-quinolin-2-ylbutan-1-ol.
What is the SMILES notation for 4-amino-3-quinolin-2-ylbutan-1-ol?
The canonical SMILES for 4-amino-3-quinolin-2-ylbutan-1-ol is NCC(CCO)c1ccc2ccccc2n1.
What is the InChIKey of 4-amino-3-quinolin-2-ylbutan-1-ol?
The InChIKey is TXIWSKNDJUHBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c14-9-11(7-8-16)13-6-5-10-3-1-2-4-12(10)15-13/h1-6,11,16H,7-9,14H2.
What are the key properties of 4-amino-3-quinolin-2-ylbutan-1-ol?
4-amino-3-quinolin-2-ylbutan-1-ol has a molecular weight of 216.28 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-quinolin-2-ylbutan-1-ol is sourced from PubChem (CID 66089092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).