3-amino-1-(2-chloroquinolin-6-yl)propane-1,2-diol

C12H13ClN2O2 — CID 170828786

IUPAC3-amino-1-(2-chloroquinolin-6-yl)propane-1,2-diol
SMILESNCC(O)C(O)c1ccc2nc(Cl)ccc2c1
InChIInChI=1S/C12H13ClN2O2/c13-11-4-2-7-5-8(1-3-9(7)15-11)12(17)10(16)6-14/h1-5,10,12,16-17H,6,14H2
InChIKeyVNDCDJILSAQMMR-UHFFFAOYSA-N
MW252.70 g/mol
LogP1.24
Rot. Bonds3

About 3-amino-1-(2-chloroquinolin-6-yl)propane-1,2-diol

3-amino-1-(2-chloroquinolin-6-yl)propane-1,2-diol (PubChem CID 170828786) has the molecular formula C12H13ClN2O2 and a molecular weight of 252.70 g/mol. Its IUPAC name is 3-amino-1-(2-chloroquinolin-6-yl)propane-1,2-diol.

Molecular Properties

Compound Name3-amino-1-(2-chloroquinolin-6-yl)propane-1,2-diol
PubChem CID170828786
Molecular FormulaC12H13ClN2O2
Molecular Weight252.70 g/mol
Exact Mass252.07
IUPAC Name3-amino-1-(2-chloroquinolin-6-yl)propane-1,2-diol
SMILESNCC(O)C(O)c1ccc2nc(Cl)ccc2c1
InChIInChI=1S/C12H13ClN2O2/c13-11-4-2-7-5-8(1-3-9(7)15-11)12(17)10(16)6-14/h1-5,10,12,16-17H,6,14H2
InChIKeyVNDCDJILSAQMMR-UHFFFAOYSA-N
XLogP1.24
TPSA79.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-amino-1-(6-chloro-3-pyridinyl)propane-1,2-diol
CID 170827531
(1R,2R)-3-amino-1-(6-chloro-3-pyridinyl)-2-naphthalen-2-ylpropan-1-ol
CID 118675733
3-amino-1-(3-chloro-4-methylphenyl)propane-1,2-diol
CID 170827605
3-amino-1-[4-chloro-3-(chloromethyl)phenyl]propane-1,2-diol
CID 170827885
1-(2-methylquinolin-6-yl)butane-1,2,4-triol
CID 171873072
3-amino-1-(1H-indazol-5-yl)propane-1,2-diol
CID 170828187
3-amino-1-(1H-indol-6-yl)propane-1,2-diol
CID 170828204
4-amino-1-(6-chloro-3-pyridinyl)butane-1,2-diol
CID 171880722
3-amino-1-(2-chloropyrimidin-5-yl)propane-1,2-diol
CID 170827505
3-amino-1-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]propane-1,2-diol
CID 170829164
3-(3-amino-1,2-dihydroxypropyl)-6-chloropyridine-2-carboxylic acid
CID 170828444
4-(methylamino)-1-(2-methylquinolin-6-yl)butane-1,2-diol
CID 171890989

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-chloroquinolin-6-yl)propane-1,2-diol?
The IUPAC name of 3-amino-1-(2-chloroquinolin-6-yl)propane-1,2-diol (CID 170828786) is 3-amino-1-(2-chloroquinolin-6-yl)propane-1,2-diol.
What is the SMILES notation for 3-amino-1-(2-chloroquinolin-6-yl)propane-1,2-diol?
The canonical SMILES for 3-amino-1-(2-chloroquinolin-6-yl)propane-1,2-diol is NCC(O)C(O)c1ccc2nc(Cl)ccc2c1.
What is the InChIKey of 3-amino-1-(2-chloroquinolin-6-yl)propane-1,2-diol?
The InChIKey is VNDCDJILSAQMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2/c13-11-4-2-7-5-8(1-3-9(7)15-11)12(17)10(16)6-14/h1-5,10,12,16-17H,6,14H2.
What are the key properties of 3-amino-1-(2-chloroquinolin-6-yl)propane-1,2-diol?
3-amino-1-(2-chloroquinolin-6-yl)propane-1,2-diol has a molecular weight of 252.70 g/mol, XLogP of 1.24, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-chloroquinolin-6-yl)propane-1,2-diol is sourced from PubChem (CID 170828786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).