2-amino-1-quinolin-4-ylpropane-1,3-diol

C12H14N2O2 — CID 66206365

IUPAC2-amino-1-quinolin-4-ylpropane-1,3-diol
SMILESNC(CO)C(O)c1ccnc2ccccc12
InChIInChI=1S/C12H14N2O2/c13-10(7-15)12(16)9-5-6-14-11-4-2-1-3-8(9)11/h1-6,10,12,15-16H,7,13H2
InChIKeyIQYBEPIETOTFPA-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.59
Rot. Bonds3

About 2-amino-1-quinolin-4-ylpropane-1,3-diol

2-amino-1-quinolin-4-ylpropane-1,3-diol (PubChem CID 66206365) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-amino-1-quinolin-4-ylpropane-1,3-diol.

Molecular Properties

Compound Name2-amino-1-quinolin-4-ylpropane-1,3-diol
PubChem CID66206365
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name2-amino-1-quinolin-4-ylpropane-1,3-diol
SMILESNC(CO)C(O)c1ccnc2ccccc12
InChIInChI=1S/C12H14N2O2/c13-10(7-15)12(16)9-5-6-14-11-4-2-1-3-8(9)11/h1-6,10,12,15-16H,7,13H2
InChIKeyIQYBEPIETOTFPA-UHFFFAOYSA-N
XLogP0.59
TPSA79.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-2-quinolin-4-ylpropan-1-ol
CID 63215939
4-chloro-1-quinolin-4-ylbutane-1,2-diol
CID 171894027
(4R)-4-amino-4-quinolin-4-ylbutan-1-ol;hydrochloride
CID 171217020
(1S)-1-quinolin-4-ylpropan-1-amine;hydrochloride
CID 171236618
S-(2,3-dihydroxy-3-quinolin-4-ylpropyl) ethanethioate
CID 170822161
1-quinolin-4-ylethanamine;dihydrochloride
CID 69169049
(1S)-3,3-difluoro-1-quinolin-4-ylpropan-1-amine
CID 171313405
(1R)-3,3-difluoro-1-quinolin-4-ylpropan-1-amine;hydrochloride
CID 171314041
(1R)-1-quinolin-4-ylprop-2-en-1-amine;hydrochloride
CID 171216982
(1R)-1-quinolin-4-ylbutane-1,4-diamine;hydrochloride
CID 171216978
[3-[amino(quinolin-4-yl)methyl]phenyl]-quinolin-4-ylmethanamine
CID 67722769
(1S)-1-quinolin-4-ylhexan-1-amine
CID 171236624

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-quinolin-4-ylpropane-1,3-diol?
The IUPAC name of 2-amino-1-quinolin-4-ylpropane-1,3-diol (CID 66206365) is 2-amino-1-quinolin-4-ylpropane-1,3-diol.
What is the SMILES notation for 2-amino-1-quinolin-4-ylpropane-1,3-diol?
The canonical SMILES for 2-amino-1-quinolin-4-ylpropane-1,3-diol is NC(CO)C(O)c1ccnc2ccccc12.
What is the InChIKey of 2-amino-1-quinolin-4-ylpropane-1,3-diol?
The InChIKey is IQYBEPIETOTFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c13-10(7-15)12(16)9-5-6-14-11-4-2-1-3-8(9)11/h1-6,10,12,15-16H,7,13H2.
What are the key properties of 2-amino-1-quinolin-4-ylpropane-1,3-diol?
2-amino-1-quinolin-4-ylpropane-1,3-diol has a molecular weight of 218.26 g/mol, XLogP of 0.59, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-quinolin-4-ylpropane-1,3-diol is sourced from PubChem (CID 66206365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).