(4-oxo-7-propyl-1H-quinolin-2-yl) hydrogen carbonate

C13H13NO4 — CID 67862897

IUPAC(4-oxo-7-propyl-1H-quinolin-2-yl) hydrogen carbonate
SMILESCCCc1ccc2c(=O)cc(OC(=O)O)[nH]c2c1
InChIInChI=1S/C13H13NO4/c1-2-3-8-4-5-9-10(6-8)14-12(7-11(9)15)18-13(16)17/h4-7H,2-3H2,1H3,(H,14,15)(H,16,17)
InChIKeyFZIJZLQSVLSBRM-UHFFFAOYSA-N
MW247.25 g/mol
LogP2.54
Rot. Bonds3

About (4-oxo-7-propyl-1H-quinolin-2-yl) hydrogen carbonate

(4-oxo-7-propyl-1H-quinolin-2-yl) hydrogen carbonate (PubChem CID 67862897) has the molecular formula C13H13NO4 and a molecular weight of 247.25 g/mol. Its IUPAC name is (4-oxo-7-propyl-1H-quinolin-2-yl) hydrogen carbonate.

Molecular Properties

Compound Name(4-oxo-7-propyl-1H-quinolin-2-yl) hydrogen carbonate
PubChem CID67862897
Molecular FormulaC13H13NO4
Molecular Weight247.25 g/mol
Exact Mass247.08
IUPAC Name(4-oxo-7-propyl-1H-quinolin-2-yl) hydrogen carbonate
SMILESCCCc1ccc2c(=O)cc(OC(=O)O)[nH]c2c1
InChIInChI=1S/C13H13NO4/c1-2-3-8-4-5-9-10(6-8)14-12(7-11(9)15)18-13(16)17/h4-7H,2-3H2,1H3,(H,14,15)(H,16,17)
InChIKeyFZIJZLQSVLSBRM-UHFFFAOYSA-N
XLogP2.54
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-oxo-7-propyl-1H-quinolin-2-yl) hydrogen carbonate?
The IUPAC name of (4-oxo-7-propyl-1H-quinolin-2-yl) hydrogen carbonate (CID 67862897) is (4-oxo-7-propyl-1H-quinolin-2-yl) hydrogen carbonate.
What is the SMILES notation for (4-oxo-7-propyl-1H-quinolin-2-yl) hydrogen carbonate?
The canonical SMILES for (4-oxo-7-propyl-1H-quinolin-2-yl) hydrogen carbonate is CCCc1ccc2c(=O)cc(OC(=O)O)[nH]c2c1.
What is the InChIKey of (4-oxo-7-propyl-1H-quinolin-2-yl) hydrogen carbonate?
The InChIKey is FZIJZLQSVLSBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4/c1-2-3-8-4-5-9-10(6-8)14-12(7-11(9)15)18-13(16)17/h4-7H,2-3H2,1H3,(H,14,15)(H,16,17).
What are the key properties of (4-oxo-7-propyl-1H-quinolin-2-yl) hydrogen carbonate?
(4-oxo-7-propyl-1H-quinolin-2-yl) hydrogen carbonate has a molecular weight of 247.25 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-oxo-7-propyl-1H-quinolin-2-yl) hydrogen carbonate is sourced from PubChem (CID 67862897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).