8-methoxy-4-(4-methoxyphenyl)-3-methyl-1,2,3,4-tetrahydroquinoline-2-carboxylic acid

C19H21NO4 — CID 10268281

IUPAC8-methoxy-4-(4-methoxyphenyl)-3-methyl-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
SMILESCOc1ccc(C2c3cccc(OC)c3NC(C(=O)O)C2C)cc1
InChIInChI=1S/C19H21NO4/c1-11-16(12-7-9-13(23-2)10-8-12)14-5-4-6-15(24-3)18(14)20-17(11)19(21)22/h4-11,16-17,20H,1-3H3,(H,21,22)
InChIKeyUQRCSWVVTYAEPM-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.35
Rot. Bonds4

About 8-methoxy-4-(4-methoxyphenyl)-3-methyl-1,2,3,4-tetrahydroquinoline-2-carboxylic acid

8-methoxy-4-(4-methoxyphenyl)-3-methyl-1,2,3,4-tetrahydroquinoline-2-carboxylic acid (PubChem CID 10268281) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is 8-methoxy-4-(4-methoxyphenyl)-3-methyl-1,2,3,4-tetrahydroquinoline-2-carboxylic acid.

Molecular Properties

Compound Name8-methoxy-4-(4-methoxyphenyl)-3-methyl-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
PubChem CID10268281
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name8-methoxy-4-(4-methoxyphenyl)-3-methyl-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
SMILESCOc1ccc(C2c3cccc(OC)c3NC(C(=O)O)C2C)cc1
InChIInChI=1S/C19H21NO4/c1-11-16(12-7-9-13(23-2)10-8-12)14-5-4-6-15(24-3)18(14)20-17(11)19(21)22/h4-11,16-17,20H,1-3H3,(H,21,22)
InChIKeyUQRCSWVVTYAEPM-UHFFFAOYSA-N
XLogP3.35
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 8-methoxy-4-(4-methoxyphenyl)-3-methyl-1,2,3,4-tetrahydroquinoline-2-carboxylic acid with MolForge

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Related Compounds

(3aS,4S,9bR)-6-methoxy-3a,4,5,9b-tetrahydro-1H-cyclopenta[c]quinoline-4-carboxylic acid
CID 100810110
(2S,3S,4R)-4-(4-methoxyphenyl)-3-methyl-8-nitro-2-phenyl-1,2,3,4-tetrahydroquinoline
CID 73349177
1-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-indene-2-carboxylic acid
CID 18427662
4-methoxy-3-methyl-2,3-dihydro-1H-indole-2-carboxylic acid
CID 112716859
4-(4-hydroxy-3-methoxyphenyl)-3-methyl-6-methylsulfanyl-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
CID 22745102
5-(4-methoxyphenyl)-2-oxo-1,3-thiazolidine-4-carboxylic acid
CID 18961071
(2R,3R)-2-(2-methoxyphenyl)-3-(4-methoxyphenyl)oxirane
CID 11817711
2-(2,3-dimethoxyphenyl)-3-(4-methoxyphenyl)oxirane
CID 101113332
(2R,3R)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid
CID 7127617
(1S,2S,3S,4R)-3-ethenyl-4-(4-methoxyphenyl)-2-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 23583974
5,7-dichloro-3,4-bis(4-methoxyphenyl)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
CID 22745097
2-(2,4-dimethoxyphenyl)cyclobutane-1-carboxylic acid
CID 81008806

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-4-(4-methoxyphenyl)-3-methyl-1,2,3,4-tetrahydroquinoline-2-carboxylic acid?
The IUPAC name of 8-methoxy-4-(4-methoxyphenyl)-3-methyl-1,2,3,4-tetrahydroquinoline-2-carboxylic acid (CID 10268281) is 8-methoxy-4-(4-methoxyphenyl)-3-methyl-1,2,3,4-tetrahydroquinoline-2-carboxylic acid.
What is the SMILES notation for 8-methoxy-4-(4-methoxyphenyl)-3-methyl-1,2,3,4-tetrahydroquinoline-2-carboxylic acid?
The canonical SMILES for 8-methoxy-4-(4-methoxyphenyl)-3-methyl-1,2,3,4-tetrahydroquinoline-2-carboxylic acid is COc1ccc(C2c3cccc(OC)c3NC(C(=O)O)C2C)cc1.
What is the InChIKey of 8-methoxy-4-(4-methoxyphenyl)-3-methyl-1,2,3,4-tetrahydroquinoline-2-carboxylic acid?
The InChIKey is UQRCSWVVTYAEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-11-16(12-7-9-13(23-2)10-8-12)14-5-4-6-15(24-3)18(14)20-17(11)19(21)22/h4-11,16-17,20H,1-3H3,(H,21,22).
What are the key properties of 8-methoxy-4-(4-methoxyphenyl)-3-methyl-1,2,3,4-tetrahydroquinoline-2-carboxylic acid?
8-methoxy-4-(4-methoxyphenyl)-3-methyl-1,2,3,4-tetrahydroquinoline-2-carboxylic acid has a molecular weight of 327.38 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-4-(4-methoxyphenyl)-3-methyl-1,2,3,4-tetrahydroquinoline-2-carboxylic acid is sourced from PubChem (CID 10268281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).