(7-chloro-3-methylquinolin-8-yl) hydrogen carbonate

C11H8ClNO3 — CID 66867776

IUPAC(7-chloro-3-methylquinolin-8-yl) hydrogen carbonate
SMILESCc1cnc2c(OC(=O)O)c(Cl)ccc2c1
InChIInChI=1S/C11H8ClNO3/c1-6-4-7-2-3-8(12)10(16-11(14)15)9(7)13-5-6/h2-5H,1H3,(H,14,15)
InChIKeyHVTQXENNFIADKK-UHFFFAOYSA-N
MW237.64 g/mol
LogP3.25
Rot. Bonds1

About (7-chloro-3-methylquinolin-8-yl) hydrogen carbonate

(7-chloro-3-methylquinolin-8-yl) hydrogen carbonate (PubChem CID 66867776) has the molecular formula C11H8ClNO3 and a molecular weight of 237.64 g/mol. Its IUPAC name is (7-chloro-3-methylquinolin-8-yl) hydrogen carbonate.

Molecular Properties

Compound Name(7-chloro-3-methylquinolin-8-yl) hydrogen carbonate
PubChem CID66867776
Molecular FormulaC11H8ClNO3
Molecular Weight237.64 g/mol
Exact Mass237.02
IUPAC Name(7-chloro-3-methylquinolin-8-yl) hydrogen carbonate
SMILESCc1cnc2c(OC(=O)O)c(Cl)ccc2c1
InChIInChI=1S/C11H8ClNO3/c1-6-4-7-2-3-8(12)10(16-11(14)15)9(7)13-5-6/h2-5H,1H3,(H,14,15)
InChIKeyHVTQXENNFIADKK-UHFFFAOYSA-N
XLogP3.25
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.64
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (7-chloro-3-methylquinolin-8-yl) hydrogen carbonate?
The IUPAC name of (7-chloro-3-methylquinolin-8-yl) hydrogen carbonate (CID 66867776) is (7-chloro-3-methylquinolin-8-yl) hydrogen carbonate.
What is the SMILES notation for (7-chloro-3-methylquinolin-8-yl) hydrogen carbonate?
The canonical SMILES for (7-chloro-3-methylquinolin-8-yl) hydrogen carbonate is Cc1cnc2c(OC(=O)O)c(Cl)ccc2c1.
What is the InChIKey of (7-chloro-3-methylquinolin-8-yl) hydrogen carbonate?
The InChIKey is HVTQXENNFIADKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNO3/c1-6-4-7-2-3-8(12)10(16-11(14)15)9(7)13-5-6/h2-5H,1H3,(H,14,15).
What are the key properties of (7-chloro-3-methylquinolin-8-yl) hydrogen carbonate?
(7-chloro-3-methylquinolin-8-yl) hydrogen carbonate has a molecular weight of 237.64 g/mol, XLogP of 3.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-3-methylquinolin-8-yl) hydrogen carbonate is sourced from PubChem (CID 66867776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).