(2-chloro-6,7-dimethoxyquinolin-3-yl)methanol

C12H12ClNO3 — CID 13482290

IUPAC(2-chloro-6,7-dimethoxyquinolin-3-yl)methanol
SMILESCOc1cc2cc(CO)c(Cl)nc2cc1OC
InChIInChI=1S/C12H12ClNO3/c1-16-10-4-7-3-8(6-15)12(13)14-9(7)5-11(10)17-2/h3-5,15H,6H2,1-2H3
InChIKeyKPLNNZOIYZHLFB-UHFFFAOYSA-N
MW253.68 g/mol
LogP2.40
Rot. Bonds3

About (2-chloro-6,7-dimethoxyquinolin-3-yl)methanol

(2-chloro-6,7-dimethoxyquinolin-3-yl)methanol (PubChem CID 13482290) has the molecular formula C12H12ClNO3 and a molecular weight of 253.68 g/mol. Its IUPAC name is (2-chloro-6,7-dimethoxyquinolin-3-yl)methanol.

Molecular Properties

Compound Name(2-chloro-6,7-dimethoxyquinolin-3-yl)methanol
PubChem CID13482290
Molecular FormulaC12H12ClNO3
Molecular Weight253.68 g/mol
Exact Mass253.05
IUPAC Name(2-chloro-6,7-dimethoxyquinolin-3-yl)methanol
SMILESCOc1cc2cc(CO)c(Cl)nc2cc1OC
InChIInChI=1S/C12H12ClNO3/c1-16-10-4-7-3-8(6-15)12(13)14-9(7)5-11(10)17-2/h3-5,15H,6H2,1-2H3
InChIKeyKPLNNZOIYZHLFB-UHFFFAOYSA-N
XLogP2.40
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.68
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-6,7-dimethoxyquinolin-3-yl)methanol?
The IUPAC name of (2-chloro-6,7-dimethoxyquinolin-3-yl)methanol (CID 13482290) is (2-chloro-6,7-dimethoxyquinolin-3-yl)methanol.
What is the SMILES notation for (2-chloro-6,7-dimethoxyquinolin-3-yl)methanol?
The canonical SMILES for (2-chloro-6,7-dimethoxyquinolin-3-yl)methanol is COc1cc2cc(CO)c(Cl)nc2cc1OC.
What is the InChIKey of (2-chloro-6,7-dimethoxyquinolin-3-yl)methanol?
The InChIKey is KPLNNZOIYZHLFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO3/c1-16-10-4-7-3-8(6-15)12(13)14-9(7)5-11(10)17-2/h3-5,15H,6H2,1-2H3.
What are the key properties of (2-chloro-6,7-dimethoxyquinolin-3-yl)methanol?
(2-chloro-6,7-dimethoxyquinolin-3-yl)methanol has a molecular weight of 253.68 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6,7-dimethoxyquinolin-3-yl)methanol is sourced from PubChem (CID 13482290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).