(2-ethoxyquinolin-3-yl) hydrogen carbonate

C12H11NO4 — CID 70534566

IUPAC(2-ethoxyquinolin-3-yl) hydrogen carbonate
SMILESCCOc1nc2ccccc2cc1OC(=O)O
InChIInChI=1S/C12H11NO4/c1-2-16-11-10(17-12(14)15)7-8-5-3-4-6-9(8)13-11/h3-7H,2H2,1H3,(H,14,15)
InChIKeySWKFCQLQFSPGOE-UHFFFAOYSA-N
MW233.22 g/mol
LogP2.69
Rot. Bonds3

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

(2-ethoxyquinolin-3-yl) hydrogen carbonate (PubChem CID 70534566) has the molecular formula C12H11NO4 and a molecular weight of 233.22 g/mol. Its IUPAC name is (2-ethoxyquinolin-3-yl) hydrogen carbonate.

Molecular Properties

Compound Name(2-ethoxyquinolin-3-yl) hydrogen carbonate
PubChem CID70534566
Molecular FormulaC12H11NO4
Molecular Weight233.22 g/mol
Exact Mass233.07
IUPAC Name(2-ethoxyquinolin-3-yl) hydrogen carbonate
SMILESCCOc1nc2ccccc2cc1OC(=O)O
InChIInChI=1S/C12H11NO4/c1-2-16-11-10(17-12(14)15)7-8-5-3-4-6-9(8)13-11/h3-7H,2H2,1H3,(H,14,15)
InChIKeySWKFCQLQFSPGOE-UHFFFAOYSA-N
XLogP2.69
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-ethoxyquinolin-3-yl) hydrogen carbonate?
The IUPAC name of (2-ethoxyquinolin-3-yl) hydrogen carbonate (CID 70534566) is (2-ethoxyquinolin-3-yl) hydrogen carbonate.
What is the SMILES notation for (2-ethoxyquinolin-3-yl) hydrogen carbonate?
The canonical SMILES for (2-ethoxyquinolin-3-yl) hydrogen carbonate is CCOc1nc2ccccc2cc1OC(=O)O.
What is the InChIKey of (2-ethoxyquinolin-3-yl) hydrogen carbonate?
The InChIKey is SWKFCQLQFSPGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO4/c1-2-16-11-10(17-12(14)15)7-8-5-3-4-6-9(8)13-11/h3-7H,2H2,1H3,(H,14,15).
What are the key properties of (2-ethoxyquinolin-3-yl) hydrogen carbonate?
(2-ethoxyquinolin-3-yl) hydrogen carbonate has a molecular weight of 233.22 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxyquinolin-3-yl) hydrogen carbonate is sourced from PubChem (CID 70534566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).