3-(quinolin-4-ylamino)propane-1,2-diol

C12H14N2O2 — CID 14836358

IUPAC3-(quinolin-4-ylamino)propane-1,2-diol
SMILESOCC(O)CNc1ccnc2ccccc12
InChIInChI=1S/C12H14N2O2/c15-8-9(16)7-14-12-5-6-13-11-4-2-1-3-10(11)12/h1-6,9,15-16H,7-8H2,(H,13,14)
InChIKeyBLQLOTLYVBHTAY-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.00
Rot. Bonds4

About 3-(quinolin-4-ylamino)propane-1,2-diol

3-(quinolin-4-ylamino)propane-1,2-diol (PubChem CID 14836358) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 3-(quinolin-4-ylamino)propane-1,2-diol.

Molecular Properties

Compound Name3-(quinolin-4-ylamino)propane-1,2-diol
PubChem CID14836358
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name3-(quinolin-4-ylamino)propane-1,2-diol
SMILESOCC(O)CNc1ccnc2ccccc12
InChIInChI=1S/C12H14N2O2/c15-8-9(16)7-14-12-5-6-13-11-4-2-1-3-10(11)12/h1-6,9,15-16H,7-8H2,(H,13,14)
InChIKeyBLQLOTLYVBHTAY-UHFFFAOYSA-N
XLogP1.00
TPSA65.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(quinolin-4-ylamino)propane-1,2-diol?
The IUPAC name of 3-(quinolin-4-ylamino)propane-1,2-diol (CID 14836358) is 3-(quinolin-4-ylamino)propane-1,2-diol.
What is the SMILES notation for 3-(quinolin-4-ylamino)propane-1,2-diol?
The canonical SMILES for 3-(quinolin-4-ylamino)propane-1,2-diol is OCC(O)CNc1ccnc2ccccc12.
What is the InChIKey of 3-(quinolin-4-ylamino)propane-1,2-diol?
The InChIKey is BLQLOTLYVBHTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c15-8-9(16)7-14-12-5-6-13-11-4-2-1-3-10(11)12/h1-6,9,15-16H,7-8H2,(H,13,14).
What are the key properties of 3-(quinolin-4-ylamino)propane-1,2-diol?
3-(quinolin-4-ylamino)propane-1,2-diol has a molecular weight of 218.26 g/mol, XLogP of 1.00, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(quinolin-4-ylamino)propane-1,2-diol is sourced from PubChem (CID 14836358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).