2-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-8-methylquinoline-4-carboxylic acid

C26H23NO4 — CID 7139641

IUPAC2-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-8-methylquinoline-4-carboxylic acid
SMILESCOc1cc(-c2cc(C(=O)O)c3cccc(C)c3n2)ccc1OCc1ccc(C)cc1
InChIInChI=1S/C26H23NO4/c1-16-7-9-18(10-8-16)15-31-23-12-11-19(13-24(23)30-3)22-14-21(26(28)29)20-6-4-5-17(2)25(20)27-22/h4-14H,15H2,1-3H3,(H,28,29)
InChIKeyMSYIVRJSWDKDRC-UHFFFAOYSA-N
MW413.47 g/mol
LogP5.80
Rot. Bonds6

About 2-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-8-methylquinoline-4-carboxylic acid

2-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-8-methylquinoline-4-carboxylic acid (PubChem CID 7139641) has the molecular formula C26H23NO4 and a molecular weight of 413.47 g/mol. Its IUPAC name is 2-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-8-methylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-8-methylquinoline-4-carboxylic acid
PubChem CID7139641
Molecular FormulaC26H23NO4
Molecular Weight413.47 g/mol
Exact Mass413.16
IUPAC Name2-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-8-methylquinoline-4-carboxylic acid
SMILESCOc1cc(-c2cc(C(=O)O)c3cccc(C)c3n2)ccc1OCc1ccc(C)cc1
InChIInChI=1S/C26H23NO4/c1-16-7-9-18(10-8-16)15-31-23-12-11-19(13-24(23)30-3)22-14-21(26(28)29)20-6-4-5-17(2)25(20)27-22/h4-14H,15H2,1-3H3,(H,28,29)
InChIKeyMSYIVRJSWDKDRC-UHFFFAOYSA-N
XLogP5.80
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.47
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methoxy-4-pentoxyphenyl)-8-methylquinoline-4-carboxylic acid
CID 7139672
2-(3,4-diethoxyphenyl)-8-methylquinoline-4-carboxylic acid
CID 7139654
8-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate
CID 7139650
2-(3,4-dichlorophenyl)-8-methylquinoline-4-carboxylic acid
CID 5202236
8-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)quinoline-4-carboxylic acid
CID 50889237
8-methyl-2-(4-methylphenyl)quinoline-4-carboxylate
CID 4746270
8-methyl-2-(4-pentoxyphenyl)quinoline-4-carboxylic acid
CID 7139668
2-(4-ethylphenyl)-8-methylquinoline-4-carboxylate
CID 6975057
5-[(2,3-dimethylphenoxy)methyl]-2-methoxybenzoic acid
CID 65339710
3-(3-methoxy-4-phenylmethoxyphenyl)-1-methylbenzo[f]quinoline
CID 3111565
2-(3-ethoxyphenyl)-8-methoxyquinoline-4-carboxylic acid
CID 7139832
2-(2-methoxynaphthalen-1-yl)-8-methylquinoline-4-carboxylate
CID 7139665

Frequently Asked Questions

What is the IUPAC name of 2-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-8-methylquinoline-4-carboxylic acid?
The IUPAC name of 2-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-8-methylquinoline-4-carboxylic acid (CID 7139641) is 2-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-8-methylquinoline-4-carboxylic acid.
What is the SMILES notation for 2-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-8-methylquinoline-4-carboxylic acid?
The canonical SMILES for 2-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-8-methylquinoline-4-carboxylic acid is COc1cc(-c2cc(C(=O)O)c3cccc(C)c3n2)ccc1OCc1ccc(C)cc1.
What is the InChIKey of 2-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-8-methylquinoline-4-carboxylic acid?
The InChIKey is MSYIVRJSWDKDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO4/c1-16-7-9-18(10-8-16)15-31-23-12-11-19(13-24(23)30-3)22-14-21(26(28)29)20-6-4-5-17(2)25(20)27-22/h4-14H,15H2,1-3H3,(H,28,29).
What are the key properties of 2-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-8-methylquinoline-4-carboxylic acid?
2-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-8-methylquinoline-4-carboxylic acid has a molecular weight of 413.47 g/mol, XLogP of 5.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-8-methylquinoline-4-carboxylic acid is sourced from PubChem (CID 7139641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).