(2-methoxyquinolin-3-yl) hydrogen carbonate

C11H9NO4 — CID 70529555

IUPAC(2-methoxyquinolin-3-yl) hydrogen carbonate
SMILESCOc1nc2ccccc2cc1OC(=O)O
InChIInChI=1S/C11H9NO4/c1-15-10-9(16-11(13)14)6-7-4-2-3-5-8(7)12-10/h2-6H,1H3,(H,13,14)
InChIKeyILAJKQXKTHTXSH-UHFFFAOYSA-N
MW219.20 g/mol
LogP2.30
Rot. Bonds2

About (2-methoxyquinolin-3-yl) hydrogen carbonate

(2-methoxyquinolin-3-yl) hydrogen carbonate (PubChem CID 70529555) has the molecular formula C11H9NO4 and a molecular weight of 219.20 g/mol. Its IUPAC name is (2-methoxyquinolin-3-yl) hydrogen carbonate.

Molecular Properties

Compound Name(2-methoxyquinolin-3-yl) hydrogen carbonate
PubChem CID70529555
Molecular FormulaC11H9NO4
Molecular Weight219.20 g/mol
Exact Mass219.05
IUPAC Name(2-methoxyquinolin-3-yl) hydrogen carbonate
SMILESCOc1nc2ccccc2cc1OC(=O)O
InChIInChI=1S/C11H9NO4/c1-15-10-9(16-11(13)14)6-7-4-2-3-5-8(7)12-10/h2-6H,1H3,(H,13,14)
InChIKeyILAJKQXKTHTXSH-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

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Frequently Asked Questions

What is the IUPAC name of (2-methoxyquinolin-3-yl) hydrogen carbonate?
The IUPAC name of (2-methoxyquinolin-3-yl) hydrogen carbonate (CID 70529555) is (2-methoxyquinolin-3-yl) hydrogen carbonate.
What is the SMILES notation for (2-methoxyquinolin-3-yl) hydrogen carbonate?
The canonical SMILES for (2-methoxyquinolin-3-yl) hydrogen carbonate is COc1nc2ccccc2cc1OC(=O)O.
What is the InChIKey of (2-methoxyquinolin-3-yl) hydrogen carbonate?
The InChIKey is ILAJKQXKTHTXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO4/c1-15-10-9(16-11(13)14)6-7-4-2-3-5-8(7)12-10/h2-6H,1H3,(H,13,14).
What are the key properties of (2-methoxyquinolin-3-yl) hydrogen carbonate?
(2-methoxyquinolin-3-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 (2-methoxyquinolin-3-yl) hydrogen carbonate is sourced from PubChem (CID 70529555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).