(4-methoxyquinolin-2-yl) hydrogen carbonate

C11H9NO4 — CID 70267248

IUPAC(4-methoxyquinolin-2-yl) hydrogen carbonate
SMILESCOc1cc(OC(=O)O)nc2ccccc12
InChIInChI=1S/C11H9NO4/c1-15-9-6-10(16-11(13)14)12-8-5-3-2-4-7(8)9/h2-6H,1H3,(H,13,14)
InChIKeyNXMYFPFPDMQSPK-UHFFFAOYSA-N
MW219.20 g/mol
LogP2.30
Rot. Bonds2

About (4-methoxyquinolin-2-yl) hydrogen carbonate

(4-methoxyquinolin-2-yl) hydrogen carbonate (PubChem CID 70267248) has the molecular formula C11H9NO4 and a molecular weight of 219.20 g/mol. Its IUPAC name is (4-methoxyquinolin-2-yl) hydrogen carbonate.

Molecular Properties

Compound Name(4-methoxyquinolin-2-yl) hydrogen carbonate
PubChem CID70267248
Molecular FormulaC11H9NO4
Molecular Weight219.20 g/mol
Exact Mass219.05
IUPAC Name(4-methoxyquinolin-2-yl) hydrogen carbonate
SMILESCOc1cc(OC(=O)O)nc2ccccc12
InChIInChI=1S/C11H9NO4/c1-15-9-6-10(16-11(13)14)12-8-5-3-2-4-7(8)9/h2-6H,1H3,(H,13,14)
InChIKeyNXMYFPFPDMQSPK-UHFFFAOYSA-N
XLogP2.30
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-methoxyquinolin-2-yl) hydrogen carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-methoxyquinolin-2-yl) hydrogen carbonate?
The IUPAC name of (4-methoxyquinolin-2-yl) hydrogen carbonate (CID 70267248) is (4-methoxyquinolin-2-yl) hydrogen carbonate.
What is the SMILES notation for (4-methoxyquinolin-2-yl) hydrogen carbonate?
The canonical SMILES for (4-methoxyquinolin-2-yl) hydrogen carbonate is COc1cc(OC(=O)O)nc2ccccc12.
What is the InChIKey of (4-methoxyquinolin-2-yl) hydrogen carbonate?
The InChIKey is NXMYFPFPDMQSPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO4/c1-15-9-6-10(16-11(13)14)12-8-5-3-2-4-7(8)9/h2-6H,1H3,(H,13,14).
What are the key properties of (4-methoxyquinolin-2-yl) hydrogen carbonate?
(4-methoxyquinolin-2-yl) hydrogen carbonate has a molecular weight of 219.20 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyquinolin-2-yl) hydrogen carbonate is sourced from PubChem (CID 70267248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).