(2-phenoxyphenyl)methyl 4-oxo-1H-quinoline-2-carboxylate

C23H17NO4 — CID 7508146

IUPAC(2-phenoxyphenyl)methyl 4-oxo-1H-quinoline-2-carboxylate
SMILESO=C(OCc1ccccc1Oc1ccccc1)c1cc(=O)c2ccccc2[nH]1
InChIInChI=1S/C23H17NO4/c25-21-14-20(24-19-12-6-5-11-18(19)21)23(26)27-15-16-8-4-7-13-22(16)28-17-9-2-1-3-10-17/h1-14H,15H2,(H,24,25)
InChIKeyIOGLIQMUGGUHBN-UHFFFAOYSA-N
MW371.39 g/mol
LogP4.68
Rot. Bonds5

About (2-phenoxyphenyl)methyl 4-oxo-1H-quinoline-2-carboxylate

(2-phenoxyphenyl)methyl 4-oxo-1H-quinoline-2-carboxylate (PubChem CID 7508146) has the molecular formula C23H17NO4 and a molecular weight of 371.39 g/mol. Its IUPAC name is (2-phenoxyphenyl)methyl 4-oxo-1H-quinoline-2-carboxylate.

Molecular Properties

Compound Name(2-phenoxyphenyl)methyl 4-oxo-1H-quinoline-2-carboxylate
PubChem CID7508146
Molecular FormulaC23H17NO4
Molecular Weight371.39 g/mol
Exact Mass371.12
IUPAC Name(2-phenoxyphenyl)methyl 4-oxo-1H-quinoline-2-carboxylate
SMILESO=C(OCc1ccccc1Oc1ccccc1)c1cc(=O)c2ccccc2[nH]1
InChIInChI=1S/C23H17NO4/c25-21-14-20(24-19-12-6-5-11-18(19)21)23(26)27-15-16-8-4-7-13-22(16)28-17-9-2-1-3-10-17/h1-14H,15H2,(H,24,25)
InChIKeyIOGLIQMUGGUHBN-UHFFFAOYSA-N
XLogP4.68
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2-phenoxyphenyl)methyl 4-oxo-1H-quinoline-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

prop-2-enyl 4-oxo-1H-quinoline-2-carboxylate
CID 67639122
cyclohexylmethyl 4-oxo-1H-quinoline-2-carboxylate
CID 7507953
(2-phenoxyphenyl)methyl 2-hydroxybenzoate
CID 7890581
(7,8-dimethyl-2-oxochromen-4-yl)methyl 4-oxo-1H-quinoline-2-carboxylate
CID 7504456
4-phenoxy-1H-indole-2-carboxylic acid
CID 59600239
[2-(2-carbamoylanilino)-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate
CID 7507048
ethyl 6-fluoro-4-oxo-1H-quinoline-2-carboxylate
CID 22425219
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate
CID 7504407
acetamide;4-oxo-1H-quinoline-2-carboxylic acid
CID 160920347
[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate
CID 7507040
[2-(naphthalen-1-ylamino)-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate
CID 7504222
[2-(2-fluoroanilino)-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate
CID 7504276

Frequently Asked Questions

What is the IUPAC name of (2-phenoxyphenyl)methyl 4-oxo-1H-quinoline-2-carboxylate?
The IUPAC name of (2-phenoxyphenyl)methyl 4-oxo-1H-quinoline-2-carboxylate (CID 7508146) is (2-phenoxyphenyl)methyl 4-oxo-1H-quinoline-2-carboxylate.
What is the SMILES notation for (2-phenoxyphenyl)methyl 4-oxo-1H-quinoline-2-carboxylate?
The canonical SMILES for (2-phenoxyphenyl)methyl 4-oxo-1H-quinoline-2-carboxylate is O=C(OCc1ccccc1Oc1ccccc1)c1cc(=O)c2ccccc2[nH]1.
What is the InChIKey of (2-phenoxyphenyl)methyl 4-oxo-1H-quinoline-2-carboxylate?
The InChIKey is IOGLIQMUGGUHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NO4/c25-21-14-20(24-19-12-6-5-11-18(19)21)23(26)27-15-16-8-4-7-13-22(16)28-17-9-2-1-3-10-17/h1-14H,15H2,(H,24,25).
What are the key properties of (2-phenoxyphenyl)methyl 4-oxo-1H-quinoline-2-carboxylate?
(2-phenoxyphenyl)methyl 4-oxo-1H-quinoline-2-carboxylate has a molecular weight of 371.39 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenoxyphenyl)methyl 4-oxo-1H-quinoline-2-carboxylate is sourced from PubChem (CID 7508146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).