(8-hydroxy-4-oxo-1H-quinolin-2-yl) hydrogen carbonate

C10H7NO5 — CID 67177306

IUPAC(8-hydroxy-4-oxo-1H-quinolin-2-yl) hydrogen carbonate
SMILESO=C(O)Oc1cc(=O)c2cccc(O)c2[nH]1
InChIInChI=1S/C10H7NO5/c12-6-3-1-2-5-7(13)4-8(11-9(5)6)16-10(14)15/h1-4,12H,(H,11,13)(H,14,15)
InChIKeyATIDEACTINTBKA-UHFFFAOYSA-N
MW221.17 g/mol
LogP1.29
Rot. Bonds1

About (8-hydroxy-4-oxo-1H-quinolin-2-yl) hydrogen carbonate

(8-hydroxy-4-oxo-1H-quinolin-2-yl) hydrogen carbonate (PubChem CID 67177306) has the molecular formula C10H7NO5 and a molecular weight of 221.17 g/mol. Its IUPAC name is (8-hydroxy-4-oxo-1H-quinolin-2-yl) hydrogen carbonate.

Molecular Properties

Compound Name(8-hydroxy-4-oxo-1H-quinolin-2-yl) hydrogen carbonate
PubChem CID67177306
Molecular FormulaC10H7NO5
Molecular Weight221.17 g/mol
Exact Mass221.03
IUPAC Name(8-hydroxy-4-oxo-1H-quinolin-2-yl) hydrogen carbonate
SMILESO=C(O)Oc1cc(=O)c2cccc(O)c2[nH]1
InChIInChI=1S/C10H7NO5/c12-6-3-1-2-5-7(13)4-8(11-9(5)6)16-10(14)15/h1-4,12H,(H,11,13)(H,14,15)
InChIKeyATIDEACTINTBKA-UHFFFAOYSA-N
XLogP1.29
TPSA99.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.17
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (8-hydroxy-4-oxo-1H-quinolin-2-yl) hydrogen carbonate?
The IUPAC name of (8-hydroxy-4-oxo-1H-quinolin-2-yl) hydrogen carbonate (CID 67177306) is (8-hydroxy-4-oxo-1H-quinolin-2-yl) hydrogen carbonate.
What is the SMILES notation for (8-hydroxy-4-oxo-1H-quinolin-2-yl) hydrogen carbonate?
The canonical SMILES for (8-hydroxy-4-oxo-1H-quinolin-2-yl) hydrogen carbonate is O=C(O)Oc1cc(=O)c2cccc(O)c2[nH]1.
What is the InChIKey of (8-hydroxy-4-oxo-1H-quinolin-2-yl) hydrogen carbonate?
The InChIKey is ATIDEACTINTBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO5/c12-6-3-1-2-5-7(13)4-8(11-9(5)6)16-10(14)15/h1-4,12H,(H,11,13)(H,14,15).
What are the key properties of (8-hydroxy-4-oxo-1H-quinolin-2-yl) hydrogen carbonate?
(8-hydroxy-4-oxo-1H-quinolin-2-yl) hydrogen carbonate has a molecular weight of 221.17 g/mol, XLogP of 1.29, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8-hydroxy-4-oxo-1H-quinolin-2-yl) hydrogen carbonate is sourced from PubChem (CID 67177306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).