(2-methoxyphenyl) 2-phenylquinoline-4-carboxylate

C23H17NO3 — CID 1128700

IUPAC(2-methoxyphenyl) 2-phenylquinoline-4-carboxylate
SMILESCOc1ccccc1OC(=O)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C23H17NO3/c1-26-21-13-7-8-14-22(21)27-23(25)18-15-20(16-9-3-2-4-10-16)24-19-12-6-5-11-17(18)19/h2-15H,1H3
InChIKeyYNIRXOGPTRXJPF-UHFFFAOYSA-N
MW355.39 g/mol
LogP5.13
Rot. Bonds4

About (2-methoxyphenyl) 2-phenylquinoline-4-carboxylate

(2-methoxyphenyl) 2-phenylquinoline-4-carboxylate (PubChem CID 1128700) has the molecular formula C23H17NO3 and a molecular weight of 355.39 g/mol. Its IUPAC name is (2-methoxyphenyl) 2-phenylquinoline-4-carboxylate.

Molecular Properties

Compound Name(2-methoxyphenyl) 2-phenylquinoline-4-carboxylate
PubChem CID1128700
Molecular FormulaC23H17NO3
Molecular Weight355.39 g/mol
Exact Mass355.12
IUPAC Name(2-methoxyphenyl) 2-phenylquinoline-4-carboxylate
SMILESCOc1ccccc1OC(=O)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C23H17NO3/c1-26-21-13-7-8-14-22(21)27-23(25)18-15-20(16-9-3-2-4-10-16)24-19-12-6-5-11-17(18)19/h2-15H,1H3
InChIKeyYNIRXOGPTRXJPF-UHFFFAOYSA-N
XLogP5.13
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.39
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(2,6-dimethoxyphenyl) 2-phenylquinoline-4-carboxylate
CID 19101104
(2,6-dimethoxyphenyl) 2-(4-bromophenyl)quinoline-4-carboxylate
CID 2382181
(2-acetylphenyl) 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 1218453
N'-(2-methoxybenzoyl)-2-phenylquinoline-4-carbohydrazide
CID 6734416
[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 2-phenylquinoline-4-carboxylate
CID 23733264
1-[2-[4-(2-methoxyphenyl)phenyl]quinolin-4-yl]ethanone
CID 145465068
(2-methoxy-5-methylphenyl)methyl 2-phenylquinoline-4-carboxylate
CID 7603582
europium;2-phenylquinoline-4-carboxylic acid
CID 87730786
4-QUINOLINECARBOXYLIC ACID, 2-PHENYL-, SODIUM SALT (1:1)
CID 167996008
cyclohexyl 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate
CID 23823125
methyl 2-(4-bromophenyl)quinoline-4-carboxylate
CID 874713
2-methoxyethyl 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate
CID 32773013

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl) 2-phenylquinoline-4-carboxylate?
The IUPAC name of (2-methoxyphenyl) 2-phenylquinoline-4-carboxylate (CID 1128700) is (2-methoxyphenyl) 2-phenylquinoline-4-carboxylate.
What is the SMILES notation for (2-methoxyphenyl) 2-phenylquinoline-4-carboxylate?
The canonical SMILES for (2-methoxyphenyl) 2-phenylquinoline-4-carboxylate is COc1ccccc1OC(=O)c1cc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of (2-methoxyphenyl) 2-phenylquinoline-4-carboxylate?
The InChIKey is YNIRXOGPTRXJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NO3/c1-26-21-13-7-8-14-22(21)27-23(25)18-15-20(16-9-3-2-4-10-16)24-19-12-6-5-11-17(18)19/h2-15H,1H3.
What are the key properties of (2-methoxyphenyl) 2-phenylquinoline-4-carboxylate?
(2-methoxyphenyl) 2-phenylquinoline-4-carboxylate has a molecular weight of 355.39 g/mol, XLogP of 5.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl) 2-phenylquinoline-4-carboxylate is sourced from PubChem (CID 1128700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).