7-[5-[(4,6-diphenyl-2-pyridinyl)oxy]pentoxy]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

C32H32N2O4 — CID 23501836

IUPAC7-[5-[(4,6-diphenyl-2-pyridinyl)oxy]pentoxy]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
SMILESO=C(O)C1Cc2ccc(OCCCCCOc3cc(-c4ccccc4)cc(-c4ccccc4)n3)cc2CN1
InChIInChI=1S/C32H32N2O4/c35-32(36)30-19-25-14-15-28(18-27(25)22-33-30)37-16-8-3-9-17-38-31-21-26(23-10-4-1-5-11-23)20-29(34-31)24-12-6-2-7-13-24/h1-2,4-7,10-15,18,20-21,30,33H,3,8-9,16-17,19,22H2,(H,35,36)
InChIKeyRZYGQUCBAMJZCJ-UHFFFAOYSA-N
MW508.62 g/mol
LogP6.14
Rot. Bonds11

About 7-[5-[(4,6-diphenyl-2-pyridinyl)oxy]pentoxy]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

7-[5-[(4,6-diphenyl-2-pyridinyl)oxy]pentoxy]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid (PubChem CID 23501836) has the molecular formula C32H32N2O4 and a molecular weight of 508.62 g/mol. Its IUPAC name is 7-[5-[(4,6-diphenyl-2-pyridinyl)oxy]pentoxy]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name7-[5-[(4,6-diphenyl-2-pyridinyl)oxy]pentoxy]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
PubChem CID23501836
Molecular FormulaC32H32N2O4
Molecular Weight508.62 g/mol
Exact Mass508.24
IUPAC Name7-[5-[(4,6-diphenyl-2-pyridinyl)oxy]pentoxy]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
SMILESO=C(O)C1Cc2ccc(OCCCCCOc3cc(-c4ccccc4)cc(-c4ccccc4)n3)cc2CN1
InChIInChI=1S/C32H32N2O4/c35-32(36)30-19-25-14-15-28(18-27(25)22-33-30)37-16-8-3-9-17-38-31-21-26(23-10-4-1-5-11-23)20-29(34-31)24-12-6-2-7-13-24/h1-2,4-7,10-15,18,20-21,30,33H,3,8-9,16-17,19,22H2,(H,35,36)
InChIKeyRZYGQUCBAMJZCJ-UHFFFAOYSA-N
XLogP6.14
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.62
LogP ≤ 56.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 7-[5-[(4,6-diphenyl-2-pyridinyl)oxy]pentoxy]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[5-[(4,6-diphenyl-2-pyridinyl)oxy]pentoxy]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid?
The IUPAC name of 7-[5-[(4,6-diphenyl-2-pyridinyl)oxy]pentoxy]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid (CID 23501836) is 7-[5-[(4,6-diphenyl-2-pyridinyl)oxy]pentoxy]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid.
What is the SMILES notation for 7-[5-[(4,6-diphenyl-2-pyridinyl)oxy]pentoxy]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid?
The canonical SMILES for 7-[5-[(4,6-diphenyl-2-pyridinyl)oxy]pentoxy]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid is O=C(O)C1Cc2ccc(OCCCCCOc3cc(-c4ccccc4)cc(-c4ccccc4)n3)cc2CN1.
What is the InChIKey of 7-[5-[(4,6-diphenyl-2-pyridinyl)oxy]pentoxy]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid?
The InChIKey is RZYGQUCBAMJZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N2O4/c35-32(36)30-19-25-14-15-28(18-27(25)22-33-30)37-16-8-3-9-17-38-31-21-26(23-10-4-1-5-11-23)20-29(34-31)24-12-6-2-7-13-24/h1-2,4-7,10-15,18,20-21,30,33H,3,8-9,16-17,19,22H2,(H,35,36).
What are the key properties of 7-[5-[(4,6-diphenyl-2-pyridinyl)oxy]pentoxy]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid?
7-[5-[(4,6-diphenyl-2-pyridinyl)oxy]pentoxy]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid has a molecular weight of 508.62 g/mol, XLogP of 6.14, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-[(4,6-diphenyl-2-pyridinyl)oxy]pentoxy]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid is sourced from PubChem (CID 23501836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).