(2-chloro-7-methoxyquinolin-3-yl)methanol

C11H10ClNO2 — CID 828415

IUPAC(2-chloro-7-methoxyquinolin-3-yl)methanol
SMILESCOc1ccc2cc(CO)c(Cl)nc2c1
InChIInChI=1S/C11H10ClNO2/c1-15-9-3-2-7-4-8(6-14)11(12)13-10(7)5-9/h2-5,14H,6H2,1H3
InChIKeyVZILTDJTOMNDTH-UHFFFAOYSA-N
MW223.66 g/mol
LogP2.39
Rot. Bonds2

About (2-chloro-7-methoxyquinolin-3-yl)methanol

(2-chloro-7-methoxyquinolin-3-yl)methanol (PubChem CID 828415) has the molecular formula C11H10ClNO2 and a molecular weight of 223.66 g/mol. Its IUPAC name is (2-chloro-7-methoxyquinolin-3-yl)methanol.

Molecular Properties

Compound Name(2-chloro-7-methoxyquinolin-3-yl)methanol
PubChem CID828415
Molecular FormulaC11H10ClNO2
Molecular Weight223.66 g/mol
Exact Mass223.04
IUPAC Name(2-chloro-7-methoxyquinolin-3-yl)methanol
SMILESCOc1ccc2cc(CO)c(Cl)nc2c1
InChIInChI=1S/C11H10ClNO2/c1-15-9-3-2-7-4-8(6-14)11(12)13-10(7)5-9/h2-5,14H,6H2,1H3
InChIKeyVZILTDJTOMNDTH-UHFFFAOYSA-N
XLogP2.39
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-7-methoxyquinolin-3-yl)methanol?
The IUPAC name of (2-chloro-7-methoxyquinolin-3-yl)methanol (CID 828415) is (2-chloro-7-methoxyquinolin-3-yl)methanol.
What is the SMILES notation for (2-chloro-7-methoxyquinolin-3-yl)methanol?
The canonical SMILES for (2-chloro-7-methoxyquinolin-3-yl)methanol is COc1ccc2cc(CO)c(Cl)nc2c1.
What is the InChIKey of (2-chloro-7-methoxyquinolin-3-yl)methanol?
The InChIKey is VZILTDJTOMNDTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO2/c1-15-9-3-2-7-4-8(6-14)11(12)13-10(7)5-9/h2-5,14H,6H2,1H3.
What are the key properties of (2-chloro-7-methoxyquinolin-3-yl)methanol?
(2-chloro-7-methoxyquinolin-3-yl)methanol has a molecular weight of 223.66 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-7-methoxyquinolin-3-yl)methanol is sourced from PubChem (CID 828415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).