[2-(3,4-dimethylphenyl)quinolin-4-yl]-[4-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone

C29H33N5O — CID 91908960

IUPAC[2-(3,4-dimethylphenyl)quinolin-4-yl]-[4-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone
SMILESCc1ccc(-c2cc(C(=O)N3CCC(Cc4nncn4C(C)C)CC3)c3ccccc3n2)cc1C
InChIInChI=1S/C29H33N5O/c1-19(2)34-18-30-32-28(34)16-22-11-13-33(14-12-22)29(35)25-17-27(23-10-9-20(3)21(4)15-23)31-26-8-6-5-7-24(25)26/h5-10,15,17-19,22H,11-14,16H2,1-4H3
InChIKeyWSZCBWRMGKQJAQ-UHFFFAOYSA-N
MW467.62 g/mol
LogP5.79
Rot. Bonds5

About [2-(3,4-dimethylphenyl)quinolin-4-yl]-[4-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone

[2-(3,4-dimethylphenyl)quinolin-4-yl]-[4-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone (PubChem CID 91908960) has the molecular formula C29H33N5O and a molecular weight of 467.62 g/mol. Its IUPAC name is [2-(3,4-dimethylphenyl)quinolin-4-yl]-[4-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(3,4-dimethylphenyl)quinolin-4-yl]-[4-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone
PubChem CID91908960
Molecular FormulaC29H33N5O
Molecular Weight467.62 g/mol
Exact Mass467.27
IUPAC Name[2-(3,4-dimethylphenyl)quinolin-4-yl]-[4-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone
SMILESCc1ccc(-c2cc(C(=O)N3CCC(Cc4nncn4C(C)C)CC3)c3ccccc3n2)cc1C
InChIInChI=1S/C29H33N5O/c1-19(2)34-18-30-32-28(34)16-22-11-13-33(14-12-22)29(35)25-17-27(23-10-9-20(3)21(4)15-23)31-26-8-6-5-7-24(25)26/h5-10,15,17-19,22H,11-14,16H2,1-4H3
InChIKeyWSZCBWRMGKQJAQ-UHFFFAOYSA-N
XLogP5.79
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.62
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-(3,4-dimethylphenyl)quinolin-4-yl]-[4-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone 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 [2-(3,4-dimethylphenyl)quinolin-4-yl]-[4-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone?
The IUPAC name of [2-(3,4-dimethylphenyl)quinolin-4-yl]-[4-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone (CID 91908960) is [2-(3,4-dimethylphenyl)quinolin-4-yl]-[4-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for [2-(3,4-dimethylphenyl)quinolin-4-yl]-[4-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for [2-(3,4-dimethylphenyl)quinolin-4-yl]-[4-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone is Cc1ccc(-c2cc(C(=O)N3CCC(Cc4nncn4C(C)C)CC3)c3ccccc3n2)cc1C.
What is the InChIKey of [2-(3,4-dimethylphenyl)quinolin-4-yl]-[4-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone?
The InChIKey is WSZCBWRMGKQJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N5O/c1-19(2)34-18-30-32-28(34)16-22-11-13-33(14-12-22)29(35)25-17-27(23-10-9-20(3)21(4)15-23)31-26-8-6-5-7-24(25)26/h5-10,15,17-19,22H,11-14,16H2,1-4H3.
What are the key properties of [2-(3,4-dimethylphenyl)quinolin-4-yl]-[4-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone?
[2-(3,4-dimethylphenyl)quinolin-4-yl]-[4-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 467.62 g/mol, XLogP of 5.79, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dimethylphenyl)quinolin-4-yl]-[4-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 91908960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).