1-quinolin-7-ylpropane-1,2,3-triol

C12H13NO3 — CID 170818071

IUPAC1-quinolin-7-ylpropane-1,2,3-triol
SMILESOCC(O)C(O)c1ccc2cccnc2c1
InChIInChI=1S/C12H13NO3/c14-7-11(15)12(16)9-4-3-8-2-1-5-13-10(8)6-9/h1-6,11-12,14-16H,7H2
InChIKeyBCMOBBGYPAZDFG-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.62
Rot. Bonds3

About 1-quinolin-7-ylpropane-1,2,3-triol

1-quinolin-7-ylpropane-1,2,3-triol (PubChem CID 170818071) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is 1-quinolin-7-ylpropane-1,2,3-triol.

Molecular Properties

Compound Name1-quinolin-7-ylpropane-1,2,3-triol
PubChem CID170818071
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name1-quinolin-7-ylpropane-1,2,3-triol
SMILESOCC(O)C(O)c1ccc2cccnc2c1
InChIInChI=1S/C12H13NO3/c14-7-11(15)12(16)9-4-3-8-2-1-5-13-10(8)6-9/h1-6,11-12,14-16H,7H2
InChIKeyBCMOBBGYPAZDFG-UHFFFAOYSA-N
XLogP0.62
TPSA73.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-diethoxy-1-quinolin-7-ylethanol
CID 81220002
3-amino-1-quinolin-7-ylpropan-1-ol
CID 84670752
1-quinolin-6-ylbutane-1,2-diol
CID 103454747
benzyl N-(2,3-dihydroxy-3-quinolin-7-ylpropyl)carbamate
CID 171856144
(2-bromophenyl)-quinolin-7-ylmethanol
CID 81216340
(2-chlorophenyl)-quinolin-7-ylmethanol
CID 81216556
2,2-dimethyl-1-quinolin-7-ylpropan-1-amine
CID 81220535
(3-bromo-2-fluorophenyl)-quinolin-7-ylmethanol
CID 107954092
(1S)-1-quinolin-7-ylnonan-1-ol
CID 15658090
ethyl 3-methyl-2-quinolin-7-ylbutanoate
CID 81224996
2-(2-methylpropylamino)-1-quinolin-7-ylethanol
CID 81221212
furan-2-yl(quinolin-7-yl)methanol
CID 81216478

Frequently Asked Questions

What is the IUPAC name of 1-quinolin-7-ylpropane-1,2,3-triol?
The IUPAC name of 1-quinolin-7-ylpropane-1,2,3-triol (CID 170818071) is 1-quinolin-7-ylpropane-1,2,3-triol.
What is the SMILES notation for 1-quinolin-7-ylpropane-1,2,3-triol?
The canonical SMILES for 1-quinolin-7-ylpropane-1,2,3-triol is OCC(O)C(O)c1ccc2cccnc2c1.
What is the InChIKey of 1-quinolin-7-ylpropane-1,2,3-triol?
The InChIKey is BCMOBBGYPAZDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c14-7-11(15)12(16)9-4-3-8-2-1-5-13-10(8)6-9/h1-6,11-12,14-16H,7H2.
What are the key properties of 1-quinolin-7-ylpropane-1,2,3-triol?
1-quinolin-7-ylpropane-1,2,3-triol has a molecular weight of 219.24 g/mol, XLogP of 0.62, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-quinolin-7-ylpropane-1,2,3-triol is sourced from PubChem (CID 170818071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).