[7-fluoro-2-(2-morpholin-4-ylphenyl)-4-oxo-1H-quinolin-3-yl] hydrogen carbonate

C20H17FN2O5 — CID 67760917

IUPAC[7-fluoro-2-(2-morpholin-4-ylphenyl)-4-oxo-1H-quinolin-3-yl] hydrogen carbonate
SMILESO=C(O)Oc1c(-c2ccccc2N2CCOCC2)[nH]c2cc(F)ccc2c1=O
InChIInChI=1S/C20H17FN2O5/c21-12-5-6-13-15(11-12)22-17(19(18(13)24)28-20(25)26)14-3-1-2-4-16(14)23-7-9-27-10-8-23/h1-6,11H,7-10H2,(H,22,24)(H,25,26)
InChIKeySTRKQZZLUJIHAD-UHFFFAOYSA-N
MW384.36 g/mol
LogP3.23
Rot. Bonds3

About [7-fluoro-2-(2-morpholin-4-ylphenyl)-4-oxo-1H-quinolin-3-yl] hydrogen carbonate

[7-fluoro-2-(2-morpholin-4-ylphenyl)-4-oxo-1H-quinolin-3-yl] hydrogen carbonate (PubChem CID 67760917) has the molecular formula C20H17FN2O5 and a molecular weight of 384.36 g/mol. Its IUPAC name is [7-fluoro-2-(2-morpholin-4-ylphenyl)-4-oxo-1H-quinolin-3-yl] hydrogen carbonate.

Molecular Properties

Compound Name[7-fluoro-2-(2-morpholin-4-ylphenyl)-4-oxo-1H-quinolin-3-yl] hydrogen carbonate
PubChem CID67760917
Molecular FormulaC20H17FN2O5
Molecular Weight384.36 g/mol
Exact Mass384.11
IUPAC Name[7-fluoro-2-(2-morpholin-4-ylphenyl)-4-oxo-1H-quinolin-3-yl] hydrogen carbonate
SMILESO=C(O)Oc1c(-c2ccccc2N2CCOCC2)[nH]c2cc(F)ccc2c1=O
InChIInChI=1S/C20H17FN2O5/c21-12-5-6-13-15(11-12)22-17(19(18(13)24)28-20(25)26)14-3-1-2-4-16(14)23-7-9-27-10-8-23/h1-6,11H,7-10H2,(H,22,24)(H,25,26)
InChIKeySTRKQZZLUJIHAD-UHFFFAOYSA-N
XLogP3.23
TPSA91.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.36
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [7-fluoro-2-(2-morpholin-4-ylphenyl)-4-oxo-1H-quinolin-3-yl] hydrogen carbonate?
The IUPAC name of [7-fluoro-2-(2-morpholin-4-ylphenyl)-4-oxo-1H-quinolin-3-yl] hydrogen carbonate (CID 67760917) is [7-fluoro-2-(2-morpholin-4-ylphenyl)-4-oxo-1H-quinolin-3-yl] hydrogen carbonate.
What is the SMILES notation for [7-fluoro-2-(2-morpholin-4-ylphenyl)-4-oxo-1H-quinolin-3-yl] hydrogen carbonate?
The canonical SMILES for [7-fluoro-2-(2-morpholin-4-ylphenyl)-4-oxo-1H-quinolin-3-yl] hydrogen carbonate is O=C(O)Oc1c(-c2ccccc2N2CCOCC2)[nH]c2cc(F)ccc2c1=O.
What is the InChIKey of [7-fluoro-2-(2-morpholin-4-ylphenyl)-4-oxo-1H-quinolin-3-yl] hydrogen carbonate?
The InChIKey is STRKQZZLUJIHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O5/c21-12-5-6-13-15(11-12)22-17(19(18(13)24)28-20(25)26)14-3-1-2-4-16(14)23-7-9-27-10-8-23/h1-6,11H,7-10H2,(H,22,24)(H,25,26).
What are the key properties of [7-fluoro-2-(2-morpholin-4-ylphenyl)-4-oxo-1H-quinolin-3-yl] hydrogen carbonate?
[7-fluoro-2-(2-morpholin-4-ylphenyl)-4-oxo-1H-quinolin-3-yl] hydrogen carbonate has a molecular weight of 384.36 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [7-fluoro-2-(2-morpholin-4-ylphenyl)-4-oxo-1H-quinolin-3-yl] hydrogen carbonate is sourced from PubChem (CID 67760917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).