phenacyl 2-oxo-1H-quinoline-4-carboxylate

C18H13NO4 — CID 684408

IUPACphenacyl 2-oxo-1H-quinoline-4-carboxylate
SMILESO=C(COC(=O)c1cc(=O)[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C18H13NO4/c20-16(12-6-2-1-3-7-12)11-23-18(22)14-10-17(21)19-15-9-5-4-8-13(14)15/h1-10H,11H2,(H,19,21)
InChIKeyYOSKSJIHVRDSKA-UHFFFAOYSA-N
MW307.31 g/mol
LogP2.57
Rot. Bonds4

About phenacyl 2-oxo-1H-quinoline-4-carboxylate

phenacyl 2-oxo-1H-quinoline-4-carboxylate (PubChem CID 684408) has the molecular formula C18H13NO4 and a molecular weight of 307.31 g/mol. Its IUPAC name is phenacyl 2-oxo-1H-quinoline-4-carboxylate.

Molecular Properties

Compound Namephenacyl 2-oxo-1H-quinoline-4-carboxylate
PubChem CID684408
Molecular FormulaC18H13NO4
Molecular Weight307.31 g/mol
Exact Mass307.08
IUPAC Namephenacyl 2-oxo-1H-quinoline-4-carboxylate
SMILESO=C(COC(=O)c1cc(=O)[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C18H13NO4/c20-16(12-6-2-1-3-7-12)11-23-18(22)14-10-17(21)19-15-9-5-4-8-13(14)15/h1-10H,11H2,(H,19,21)
InChIKeyYOSKSJIHVRDSKA-UHFFFAOYSA-N
XLogP2.57
TPSA76.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-tert-butylphenyl)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 7761796
[2-(4-acetamidophenyl)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 8789495
(2-oxo-2-piperidin-1-ylethyl) 2-oxo-1H-quinoline-4-carboxylate
CID 2646060
[2-[benzyl(methyl)amino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2390297
[2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 7761895
[2-(4-bromophenyl)-2-oxoethyl] 6-methyl-2-oxo-1H-quinoline-4-carboxylate
CID 1217057
[2-[bis(2-methoxyethyl)amino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2435886
[2-(4-ethoxycarbonylanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2489819
[2-(4-nitrophenyl)-2-oxoethyl] 3-[(2-oxo-1H-quinoline-4-carbonyl)amino]benzoate
CID 1128716
(2-chlorophenyl)methyl 2-oxo-1H-quinoline-4-carboxylate
CID 895054
[2-(4-nitrophenyl)-2-oxoethyl] 4-[(2-oxo-1H-quinoline-4-carbonyl)amino]benzoate
CID 1128714
[2-oxo-2-(3-phenylsulfanylpropanoylamino)ethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 18775355

Frequently Asked Questions

What is the IUPAC name of phenacyl 2-oxo-1H-quinoline-4-carboxylate?
The IUPAC name of phenacyl 2-oxo-1H-quinoline-4-carboxylate (CID 684408) is phenacyl 2-oxo-1H-quinoline-4-carboxylate.
What is the SMILES notation for phenacyl 2-oxo-1H-quinoline-4-carboxylate?
The canonical SMILES for phenacyl 2-oxo-1H-quinoline-4-carboxylate is O=C(COC(=O)c1cc(=O)[nH]c2ccccc12)c1ccccc1.
What is the InChIKey of phenacyl 2-oxo-1H-quinoline-4-carboxylate?
The InChIKey is YOSKSJIHVRDSKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO4/c20-16(12-6-2-1-3-7-12)11-23-18(22)14-10-17(21)19-15-9-5-4-8-13(14)15/h1-10H,11H2,(H,19,21).
What are the key properties of phenacyl 2-oxo-1H-quinoline-4-carboxylate?
phenacyl 2-oxo-1H-quinoline-4-carboxylate has a molecular weight of 307.31 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenacyl 2-oxo-1H-quinoline-4-carboxylate is sourced from PubChem (CID 684408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).