3-[(6-chloroquinolin-2-yl)methyl-methylamino]propane-1,2-diol

C14H17ClN2O2 — CID 77080268

IUPAC3-[(6-chloroquinolin-2-yl)methyl-methylamino]propane-1,2-diol
SMILESCN(Cc1ccc2cc(Cl)ccc2n1)CC(O)CO
InChIInChI=1S/C14H17ClN2O2/c1-17(8-13(19)9-18)7-12-4-2-10-6-11(15)3-5-14(10)16-12/h2-6,13,18-19H,7-9H2,1H3
InChIKeyXTZRZGUIKZCUJA-UHFFFAOYSA-N
MW280.76 g/mol
LogP1.67
Rot. Bonds5

About 3-[(6-chloroquinolin-2-yl)methyl-methylamino]propane-1,2-diol

3-[(6-chloroquinolin-2-yl)methyl-methylamino]propane-1,2-diol (PubChem CID 77080268) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.76 g/mol. Its IUPAC name is 3-[(6-chloroquinolin-2-yl)methyl-methylamino]propane-1,2-diol.

Molecular Properties

Compound Name3-[(6-chloroquinolin-2-yl)methyl-methylamino]propane-1,2-diol
PubChem CID77080268
Molecular FormulaC14H17ClN2O2
Molecular Weight280.76 g/mol
Exact Mass280.10
IUPAC Name3-[(6-chloroquinolin-2-yl)methyl-methylamino]propane-1,2-diol
SMILESCN(Cc1ccc2cc(Cl)ccc2n1)CC(O)CO
InChIInChI=1S/C14H17ClN2O2/c1-17(8-13(19)9-18)7-12-4-2-10-6-11(15)3-5-14(10)16-12/h2-6,13,18-19H,7-9H2,1H3
InChIKeyXTZRZGUIKZCUJA-UHFFFAOYSA-N
XLogP1.67
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.76
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-chloroquinolin-2-yl)methyl-methylamino]propane-1,2-diol?
The IUPAC name of 3-[(6-chloroquinolin-2-yl)methyl-methylamino]propane-1,2-diol (CID 77080268) is 3-[(6-chloroquinolin-2-yl)methyl-methylamino]propane-1,2-diol.
What is the SMILES notation for 3-[(6-chloroquinolin-2-yl)methyl-methylamino]propane-1,2-diol?
The canonical SMILES for 3-[(6-chloroquinolin-2-yl)methyl-methylamino]propane-1,2-diol is CN(Cc1ccc2cc(Cl)ccc2n1)CC(O)CO.
What is the InChIKey of 3-[(6-chloroquinolin-2-yl)methyl-methylamino]propane-1,2-diol?
The InChIKey is XTZRZGUIKZCUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c1-17(8-13(19)9-18)7-12-4-2-10-6-11(15)3-5-14(10)16-12/h2-6,13,18-19H,7-9H2,1H3.
What are the key properties of 3-[(6-chloroquinolin-2-yl)methyl-methylamino]propane-1,2-diol?
3-[(6-chloroquinolin-2-yl)methyl-methylamino]propane-1,2-diol has a molecular weight of 280.76 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-chloroquinolin-2-yl)methyl-methylamino]propane-1,2-diol is sourced from PubChem (CID 77080268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).