(2,6-dimethoxyphenyl) 2-phenylquinoline-4-carboxylate

C24H19NO4 — CID 19101104

IUPAC(2,6-dimethoxyphenyl) 2-phenylquinoline-4-carboxylate
SMILESCOc1cccc(OC)c1OC(=O)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C24H19NO4/c1-27-21-13-8-14-22(28-2)23(21)29-24(26)18-15-20(16-9-4-3-5-10-16)25-19-12-7-6-11-17(18)19/h3-15H,1-2H3
InChIKeyQKHQRVMYNJOVOV-UHFFFAOYSA-N
MW385.42 g/mol
LogP5.14
Rot. Bonds5

About (2,6-dimethoxyphenyl) 2-phenylquinoline-4-carboxylate

(2,6-dimethoxyphenyl) 2-phenylquinoline-4-carboxylate (PubChem CID 19101104) has the molecular formula C24H19NO4 and a molecular weight of 385.42 g/mol. Its IUPAC name is (2,6-dimethoxyphenyl) 2-phenylquinoline-4-carboxylate.

Molecular Properties

Compound Name(2,6-dimethoxyphenyl) 2-phenylquinoline-4-carboxylate
PubChem CID19101104
Molecular FormulaC24H19NO4
Molecular Weight385.42 g/mol
Exact Mass385.13
IUPAC Name(2,6-dimethoxyphenyl) 2-phenylquinoline-4-carboxylate
SMILESCOc1cccc(OC)c1OC(=O)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C24H19NO4/c1-27-21-13-8-14-22(28-2)23(21)29-24(26)18-15-20(16-9-4-3-5-10-16)25-19-12-7-6-11-17(18)19/h3-15H,1-2H3
InChIKeyQKHQRVMYNJOVOV-UHFFFAOYSA-N
XLogP5.14
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.42
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2,6-dimethoxyphenyl) 2-(4-bromophenyl)quinoline-4-carboxylate
CID 2382181
(2-methoxyphenyl) 2-phenylquinoline-4-carboxylate
CID 1128700
(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
methyl 2-(4-bromophenyl)quinoline-4-carboxylate
CID 874713
[(1R)-1-cyanoethyl] 2-phenylquinoline-4-carboxylate
CID 7782208
2-methoxyethyl 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate
CID 32773013

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethoxyphenyl) 2-phenylquinoline-4-carboxylate?
The IUPAC name of (2,6-dimethoxyphenyl) 2-phenylquinoline-4-carboxylate (CID 19101104) is (2,6-dimethoxyphenyl) 2-phenylquinoline-4-carboxylate.
What is the SMILES notation for (2,6-dimethoxyphenyl) 2-phenylquinoline-4-carboxylate?
The canonical SMILES for (2,6-dimethoxyphenyl) 2-phenylquinoline-4-carboxylate is COc1cccc(OC)c1OC(=O)c1cc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of (2,6-dimethoxyphenyl) 2-phenylquinoline-4-carboxylate?
The InChIKey is QKHQRVMYNJOVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO4/c1-27-21-13-8-14-22(28-2)23(21)29-24(26)18-15-20(16-9-4-3-5-10-16)25-19-12-7-6-11-17(18)19/h3-15H,1-2H3.
What are the key properties of (2,6-dimethoxyphenyl) 2-phenylquinoline-4-carboxylate?
(2,6-dimethoxyphenyl) 2-phenylquinoline-4-carboxylate has a molecular weight of 385.42 g/mol, XLogP of 5.14, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethoxyphenyl) 2-phenylquinoline-4-carboxylate is sourced from PubChem (CID 19101104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).