3-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate

C24H18NO3- — CID 4134698

IUPAC3-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate
SMILESCc1c(-c2ccc(OCc3ccccc3)cc2)nc2ccccc2c1C(=O)[O-]
InChIInChI=1S/C24H19NO3/c1-16-22(24(26)27)20-9-5-6-10-21(20)25-23(16)18-11-13-19(14-12-18)28-15-17-7-3-2-4-8-17/h2-14H,15H2,1H3,(H,26,27)/p-1
InChIKeyJRJOPURIBFBFLL-UHFFFAOYSA-M
MW368.41 g/mol
LogP4.15
Rot. Bonds5

About 3-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate

3-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate (PubChem CID 4134698) has the molecular formula C24H18NO3- and a molecular weight of 368.41 g/mol. Its IUPAC name is 3-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate.

Molecular Properties

Compound Name3-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate
PubChem CID4134698
Molecular FormulaC24H18NO3-
Molecular Weight368.41 g/mol
Exact Mass368.13
IUPAC Name3-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate
SMILESCc1c(-c2ccc(OCc3ccccc3)cc2)nc2ccccc2c1C(=O)[O-]
InChIInChI=1S/C24H19NO3/c1-16-22(24(26)27)20-9-5-6-10-21(20)25-23(16)18-11-13-19(14-12-18)28-15-17-7-3-2-4-8-17/h2-14H,15H2,1H3,(H,26,27)/p-1
InChIKeyJRJOPURIBFBFLL-UHFFFAOYSA-M
XLogP4.15
TPSA62.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-2-(4-ethoxyphenyl)-3-methylquinoline-4-carboxylate
CID 4653522
2-(4-methoxyphenyl)-3-methyl-N-(2-phenylethyl)quinoline-4-carboxamide
CID 5197457
N,N-diethyl-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide
CID 4199357
3-methyl-2-phenylquinoline-4-carboxylic acid;hydrochloride
CID 140991456
8-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate
CID 7139650
N-(2,6-diethylphenyl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide
CID 3681950
N-tert-butyl-3-methyl-2-phenylquinoline-4-carboxamide
CID 3639952
6-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylic acid
CID 4711644
[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-[2-(4-methoxyphenyl)-3-methylquinolin-4-yl]methanone
CID 2965435
N-(4-butylphenyl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide
CID 4608973
2-(4-methoxyphenyl)-3-methyl-N-(4-methyl-2-pyridinyl)quinoline-4-carboxamide
CID 4185870
3-(4-methoxyphenyl)quinoline-2,4-dicarboxylate
CID 5216026

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate?
The IUPAC name of 3-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate (CID 4134698) is 3-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate.
What is the SMILES notation for 3-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate?
The canonical SMILES for 3-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate is Cc1c(-c2ccc(OCc3ccccc3)cc2)nc2ccccc2c1C(=O)[O-].
What is the InChIKey of 3-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate?
The InChIKey is JRJOPURIBFBFLL-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H19NO3/c1-16-22(24(26)27)20-9-5-6-10-21(20)25-23(16)18-11-13-19(14-12-18)28-15-17-7-3-2-4-8-17/h2-14H,15H2,1H3,(H,26,27)/p-1.
What are the key properties of 3-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate?
3-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate has a molecular weight of 368.41 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate is sourced from PubChem (CID 4134698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).