6-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylic acid

C24H19NO3 — CID 4711644

IUPAC6-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylic acid
SMILESCc1ccc2nc(-c3ccc(OCc4ccccc4)cc3)cc(C(=O)O)c2c1
InChIInChI=1S/C24H19NO3/c1-16-7-12-22-20(13-16)21(24(26)27)14-23(25-22)18-8-10-19(11-9-18)28-15-17-5-3-2-4-6-17/h2-14H,15H2,1H3,(H,26,27)
InChIKeyCQNXMBXFCOAWDD-UHFFFAOYSA-N
MW369.42 g/mol
LogP5.49
Rot. Bonds5

About 6-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylic acid

6-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylic acid (PubChem CID 4711644) has the molecular formula C24H19NO3 and a molecular weight of 369.42 g/mol. Its IUPAC name is 6-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylic acid
PubChem CID4711644
Molecular FormulaC24H19NO3
Molecular Weight369.42 g/mol
Exact Mass369.14
IUPAC Name6-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylic acid
SMILESCc1ccc2nc(-c3ccc(OCc4ccccc4)cc3)cc(C(=O)O)c2c1
InChIInChI=1S/C24H19NO3/c1-16-7-12-22-20(13-16)21(24(26)27)14-23(25-22)18-8-10-19(11-9-18)28-15-17-5-3-2-4-6-17/h2-14H,15H2,1H3,(H,26,27)
InChIKeyCQNXMBXFCOAWDD-UHFFFAOYSA-N
XLogP5.49
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.42
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-ethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylic acid
CID 4711645
2-(4-ethylphenyl)-6-methylquinoline-4-carboxylic acid
CID 1225955
6-ethoxy-2-(4-ethoxyphenyl)quinoline-4-carboxylic acid
CID 3511446
2-(4-ethoxyphenyl)-6-ethylquinoline-4-carboxylic acid
CID 4021744
6-methyl-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxylic acid
CID 1229845
8-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate
CID 7139650
6-methyl-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxylic acid
CID 842809
2-(4-ethoxyphenyl)-6-methyl-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide
CID 998766
2-[4-(furan-2-yl)phenyl]-6-methylquinoline-4-carboxylic acid
CID 168527201
2-[4-(4-butoxyphenyl)phenyl]-6-iodoquinoline-4-carboxylic acid
CID 170148625
2-[4-(6-methyl-4-phenylquinolin-2-yl)phenoxy]-1-morpholin-4-ylethanone
CID 39860435
[2-oxo-2-(4-phenylphenyl)ethyl] 2-(4-methoxyphenyl)-6-methylquinoline-4-carboxylate
CID 3591091

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylic acid?
The IUPAC name of 6-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylic acid (CID 4711644) is 6-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylic acid.
What is the SMILES notation for 6-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylic acid?
The canonical SMILES for 6-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylic acid is Cc1ccc2nc(-c3ccc(OCc4ccccc4)cc3)cc(C(=O)O)c2c1.
What is the InChIKey of 6-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylic acid?
The InChIKey is CQNXMBXFCOAWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO3/c1-16-7-12-22-20(13-16)21(24(26)27)14-23(25-22)18-8-10-19(11-9-18)28-15-17-5-3-2-4-6-17/h2-14H,15H2,1H3,(H,26,27).
What are the key properties of 6-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylic acid?
6-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylic acid has a molecular weight of 369.42 g/mol, XLogP of 5.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylic acid is sourced from PubChem (CID 4711644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).