[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate

C19H13F2NO5 — CID 7507040

IUPAC[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate
SMILESO=C(COC(=O)c1cc(=O)c2ccccc2[nH]1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C19H13F2NO5/c20-19(21)27-12-7-5-11(6-8-12)17(24)10-26-18(25)15-9-16(23)13-3-1-2-4-14(13)22-15/h1-9,19H,10H2,(H,22,23)
InChIKeyOWJNSRCWIJRPCS-UHFFFAOYSA-N
MW373.31 g/mol
LogP3.17
Rot. Bonds6

About [2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate

[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate (PubChem CID 7507040) has the molecular formula C19H13F2NO5 and a molecular weight of 373.31 g/mol. Its IUPAC name is [2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate.

Molecular Properties

Compound Name[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate
PubChem CID7507040
Molecular FormulaC19H13F2NO5
Molecular Weight373.31 g/mol
Exact Mass373.08
IUPAC Name[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate
SMILESO=C(COC(=O)c1cc(=O)c2ccccc2[nH]1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C19H13F2NO5/c20-19(21)27-12-7-5-11(6-8-12)17(24)10-26-18(25)15-9-16(23)13-3-1-2-4-14(13)22-15/h1-9,19H,10H2,(H,22,23)
InChIKeyOWJNSRCWIJRPCS-UHFFFAOYSA-N
XLogP3.17
TPSA85.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.31
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

prop-2-enyl 4-oxo-1H-quinoline-2-carboxylate
CID 67639122
[2-(2-fluoroanilino)-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate
CID 7504276
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate
CID 7507750
[2-(naphthalen-1-ylamino)-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate
CID 7504222
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 4-(difluoromethoxy)benzoate
CID 3971198
[2-(2-carbamoylanilino)-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate
CID 7507048
[2-(2-methoxyethylamino)-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate
CID 7507078
[2-oxo-2-(2-propan-2-ylanilino)ethyl] 4-oxo-1H-quinoline-2-carboxylate
CID 7504252
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate
CID 7504407
phenacyl 2-oxo-1H-quinoline-4-carboxylate
CID 684408
cyclohexylmethyl 4-oxo-1H-quinoline-2-carboxylate
CID 7507953
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate
CID 7507105

Frequently Asked Questions

What is the IUPAC name of [2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate?
The IUPAC name of [2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate (CID 7507040) is [2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate.
What is the SMILES notation for [2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate?
The canonical SMILES for [2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate is O=C(COC(=O)c1cc(=O)c2ccccc2[nH]1)c1ccc(OC(F)F)cc1.
What is the InChIKey of [2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate?
The InChIKey is OWJNSRCWIJRPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F2NO5/c20-19(21)27-12-7-5-11(6-8-12)17(24)10-26-18(25)15-9-16(23)13-3-1-2-4-14(13)22-15/h1-9,19H,10H2,(H,22,23).
What are the key properties of [2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate?
[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate has a molecular weight of 373.31 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate is sourced from PubChem (CID 7507040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).