[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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Related Compounds

7-fluoro-3-hydroxy-6-morpholin-4-yl-2-phenyl-1H-quinolin-4-one
CID 162653552
5-(3-hydroxy-4-oxo-1H-quinolin-2-yl)-2-morpholin-4-ylbenzamide
CID 137638991
5-(3-hydroxy-4-oxo-1H-quinolin-2-yl)-2-morpholin-4-ylbenzoic acid
CID 137640276
7-fluoro-3-hydroxy-6-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]-2-phenyl-1H-quinolin-4-one
CID 162645440
5-(2-oxo-2-phenylethoxy)-2-((4-phenylpiperazin-1-yl)methyl)-4H-pyran-4-one
CID 7178502
2-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-5-(2-oxo-2-phenylethoxy)-4H-pyran-4-one
CID 7178505
[1-Cyclopropyl-5,6,8-trifluoro-4-oxo-7-(3-phenylpiperazin-1-yl)quinolin-3-yl] hydrogen carbonate
CID 17804229
[5-Amino-1-cyclopropyl-6,8-difluoro-7-[3-(4-fluorophenyl)piperazin-1-yl]-4-oxoquinolin-3-yl] hydrogen carbonate
CID 17804289
[1-Cyclopropyl-5,6,8-trifluoro-7-[3-(4-fluorophenyl)piperazin-1-yl]-4-oxoquinolin-3-yl] hydrogen carbonate
CID 17804296
Ethyl [6,7,8-trifluoro-1-(4-fluorophenyl)-4-oxoquinolin-3-yl] carbonate
CID 17868722
[6,8-Difluoro-1-(4-fluorophenyl)-7-[2-(hydroxymethyl)-4-methylpiperazin-1-yl]-4-oxoquinolin-3-yl] hydrogen carbonate
CID 17883396
[6,7,8-Trifluoro-1-(4-fluorophenyl)-4-oxoquinolin-3-yl] hydrogen carbonate
CID 21614579

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).