4H-quinolin-1-yl hydrogen carbonate

C10H9NO3 — CID 70011610

IUPAC4H-quinolin-1-yl hydrogen carbonate
SMILESO=C(O)ON1C=CCc2ccccc21
InChIInChI=1S/C10H9NO3/c12-10(13)14-11-7-3-5-8-4-1-2-6-9(8)11/h1-4,6-7H,5H2,(H,12,13)
InChIKeyYLKCKPPCHUHVIG-UHFFFAOYSA-N
MW191.19 g/mol
LogP2.17
Rot. Bonds1

About 4H-quinolin-1-yl hydrogen carbonate

4H-quinolin-1-yl hydrogen carbonate (PubChem CID 70011610) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is 4H-quinolin-1-yl hydrogen carbonate.

Molecular Properties

Compound Name4H-quinolin-1-yl hydrogen carbonate
PubChem CID70011610
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Name4H-quinolin-1-yl hydrogen carbonate
SMILESO=C(O)ON1C=CCc2ccccc21
InChIInChI=1S/C10H9NO3/c12-10(13)14-11-7-3-5-8-4-1-2-6-9(8)11/h1-4,6-7H,5H2,(H,12,13)
InChIKeyYLKCKPPCHUHVIG-UHFFFAOYSA-N
XLogP2.17
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4H-quinolin-1-yl hydrogen carbonate?
The IUPAC name of 4H-quinolin-1-yl hydrogen carbonate (CID 70011610) is 4H-quinolin-1-yl hydrogen carbonate.
What is the SMILES notation for 4H-quinolin-1-yl hydrogen carbonate?
The canonical SMILES for 4H-quinolin-1-yl hydrogen carbonate is O=C(O)ON1C=CCc2ccccc21.
What is the InChIKey of 4H-quinolin-1-yl hydrogen carbonate?
The InChIKey is YLKCKPPCHUHVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3/c12-10(13)14-11-7-3-5-8-4-1-2-6-9(8)11/h1-4,6-7H,5H2,(H,12,13).
What are the key properties of 4H-quinolin-1-yl hydrogen carbonate?
4H-quinolin-1-yl hydrogen carbonate has a molecular weight of 191.19 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-quinolin-1-yl hydrogen carbonate is sourced from PubChem (CID 70011610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).