4-(4-methoxyphenyl)-3-methyl-6-phenoxy-1,2,3,4-tetrahydroquinoline-2-carboxylic acid

C24H23NO4 — CID 10157153

IUPAC4-(4-methoxyphenyl)-3-methyl-6-phenoxy-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
SMILESCOc1ccc(C2c3cc(Oc4ccccc4)ccc3NC(C(=O)O)C2C)cc1
InChIInChI=1S/C24H23NO4/c1-15-22(16-8-10-17(28-2)11-9-16)20-14-19(29-18-6-4-3-5-7-18)12-13-21(20)25-23(15)24(26)27/h3-15,22-23,25H,1-2H3,(H,26,27)
InChIKeyPKGFAFSDQMJEMY-UHFFFAOYSA-N
MW389.45 g/mol
LogP5.13
Rot. Bonds5

About 4-(4-methoxyphenyl)-3-methyl-6-phenoxy-1,2,3,4-tetrahydroquinoline-2-carboxylic acid

4-(4-methoxyphenyl)-3-methyl-6-phenoxy-1,2,3,4-tetrahydroquinoline-2-carboxylic acid (PubChem CID 10157153) has the molecular formula C24H23NO4 and a molecular weight of 389.45 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-3-methyl-6-phenoxy-1,2,3,4-tetrahydroquinoline-2-carboxylic acid.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-3-methyl-6-phenoxy-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
PubChem CID10157153
Molecular FormulaC24H23NO4
Molecular Weight389.45 g/mol
Exact Mass389.16
IUPAC Name4-(4-methoxyphenyl)-3-methyl-6-phenoxy-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
SMILESCOc1ccc(C2c3cc(Oc4ccccc4)ccc3NC(C(=O)O)C2C)cc1
InChIInChI=1S/C24H23NO4/c1-15-22(16-8-10-17(28-2)11-9-16)20-14-19(29-18-6-4-3-5-7-18)12-13-21(20)25-23(15)24(26)27/h3-15,22-23,25H,1-2H3,(H,26,27)
InChIKeyPKGFAFSDQMJEMY-UHFFFAOYSA-N
XLogP5.13
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.45
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-3-methyl-6-phenoxy-1,2,3,4-tetrahydroquinoline-2-carboxylic acid?
The IUPAC name of 4-(4-methoxyphenyl)-3-methyl-6-phenoxy-1,2,3,4-tetrahydroquinoline-2-carboxylic acid (CID 10157153) is 4-(4-methoxyphenyl)-3-methyl-6-phenoxy-1,2,3,4-tetrahydroquinoline-2-carboxylic acid.
What is the SMILES notation for 4-(4-methoxyphenyl)-3-methyl-6-phenoxy-1,2,3,4-tetrahydroquinoline-2-carboxylic acid?
The canonical SMILES for 4-(4-methoxyphenyl)-3-methyl-6-phenoxy-1,2,3,4-tetrahydroquinoline-2-carboxylic acid is COc1ccc(C2c3cc(Oc4ccccc4)ccc3NC(C(=O)O)C2C)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-3-methyl-6-phenoxy-1,2,3,4-tetrahydroquinoline-2-carboxylic acid?
The InChIKey is PKGFAFSDQMJEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO4/c1-15-22(16-8-10-17(28-2)11-9-16)20-14-19(29-18-6-4-3-5-7-18)12-13-21(20)25-23(15)24(26)27/h3-15,22-23,25H,1-2H3,(H,26,27).
What are the key properties of 4-(4-methoxyphenyl)-3-methyl-6-phenoxy-1,2,3,4-tetrahydroquinoline-2-carboxylic acid?
4-(4-methoxyphenyl)-3-methyl-6-phenoxy-1,2,3,4-tetrahydroquinoline-2-carboxylic acid has a molecular weight of 389.45 g/mol, XLogP of 5.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-3-methyl-6-phenoxy-1,2,3,4-tetrahydroquinoline-2-carboxylic acid is sourced from PubChem (CID 10157153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).