4-amino-1-quinolin-2-ylbutane-1,2-diol

C13H16N2O2 — CID 171881473

IUPAC4-amino-1-quinolin-2-ylbutane-1,2-diol
SMILESNCCC(O)C(O)c1ccc2ccccc2n1
InChIInChI=1S/C13H16N2O2/c14-8-7-12(16)13(17)11-6-5-9-3-1-2-4-10(9)15-11/h1-6,12-13,16-17H,7-8,14H2
InChIKeyQLDDUPVLPSQFTQ-UHFFFAOYSA-N
MW232.28 g/mol
LogP0.98
Rot. Bonds4

About 4-amino-1-quinolin-2-ylbutane-1,2-diol

4-amino-1-quinolin-2-ylbutane-1,2-diol (PubChem CID 171881473) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 4-amino-1-quinolin-2-ylbutane-1,2-diol.

Molecular Properties

Compound Name4-amino-1-quinolin-2-ylbutane-1,2-diol
PubChem CID171881473
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name4-amino-1-quinolin-2-ylbutane-1,2-diol
SMILESNCCC(O)C(O)c1ccc2ccccc2n1
InChIInChI=1S/C13H16N2O2/c14-8-7-12(16)13(17)11-6-5-9-3-1-2-4-10(9)15-11/h1-6,12-13,16-17H,7-8,14H2
InChIKeyQLDDUPVLPSQFTQ-UHFFFAOYSA-N
XLogP0.98
TPSA79.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dihydroxy-4-quinolin-2-ylbutanenitrile
CID 171901182
(1S)-2-amino-1-quinolin-2-ylethanol
CID 96808696
2-amino-1-quinolin-2-ylbutan-1-ol
CID 64955097
amino(quinolin-2-yl)methanol
CID 154237779
S-(2,3-dihydroxy-3-quinolin-2-ylpropyl) ethanethioate
CID 170822150
(1S)-1-quinolin-2-ylbutane-1,4-diamine
CID 171236567
(1R)-1-quinolin-2-ylbutane-1,4-diamine
CID 171216930
(3S)-3-amino-3-quinolin-2-ylpropan-1-ol
CID 96860354
4-amino-1-pyridin-2-ylbutane-1,2-diol
CID 171880668
4-amino-1-(5-amino-6-chloro-2-pyridinyl)butane-1,2-diol
CID 171880901
4-amino-3-quinolin-2-ylbutan-1-ol
CID 66089092
3-amino-2,2-dimethyl-1-quinolin-2-ylpropan-1-ol
CID 79125016

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-quinolin-2-ylbutane-1,2-diol?
The IUPAC name of 4-amino-1-quinolin-2-ylbutane-1,2-diol (CID 171881473) is 4-amino-1-quinolin-2-ylbutane-1,2-diol.
What is the SMILES notation for 4-amino-1-quinolin-2-ylbutane-1,2-diol?
The canonical SMILES for 4-amino-1-quinolin-2-ylbutane-1,2-diol is NCCC(O)C(O)c1ccc2ccccc2n1.
What is the InChIKey of 4-amino-1-quinolin-2-ylbutane-1,2-diol?
The InChIKey is QLDDUPVLPSQFTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c14-8-7-12(16)13(17)11-6-5-9-3-1-2-4-10(9)15-11/h1-6,12-13,16-17H,7-8,14H2.
What are the key properties of 4-amino-1-quinolin-2-ylbutane-1,2-diol?
4-amino-1-quinolin-2-ylbutane-1,2-diol has a molecular weight of 232.28 g/mol, XLogP of 0.98, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-quinolin-2-ylbutane-1,2-diol is sourced from PubChem (CID 171881473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).