2-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]-1-(3-propan-2-yloxyphenyl)ethanone

C25H25N3O2 — CID 157187192

IUPAC2-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]-1-(3-propan-2-yloxyphenyl)ethanone
SMILESCc1cc(C)n(-c2ccc3cccc(CC(=O)c4cccc(OC(C)C)c4)c3n2)n1
InChIInChI=1S/C25H25N3O2/c1-16(2)30-22-10-6-8-20(14-22)23(29)15-21-9-5-7-19-11-12-24(26-25(19)21)28-18(4)13-17(3)27-28/h5-14,16H,15H2,1-4H3
InChIKeyLLZNWYPSYSJLIB-UHFFFAOYSA-N
MW399.49 g/mol
LogP5.25
Rot. Bonds6

About 2-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]-1-(3-propan-2-yloxyphenyl)ethanone

2-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]-1-(3-propan-2-yloxyphenyl)ethanone (PubChem CID 157187192) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is 2-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]-1-(3-propan-2-yloxyphenyl)ethanone.

Molecular Properties

Compound Name2-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]-1-(3-propan-2-yloxyphenyl)ethanone
PubChem CID157187192
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC Name2-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]-1-(3-propan-2-yloxyphenyl)ethanone
SMILESCc1cc(C)n(-c2ccc3cccc(CC(=O)c4cccc(OC(C)C)c4)c3n2)n1
InChIInChI=1S/C25H25N3O2/c1-16(2)30-22-10-6-8-20(14-22)23(29)15-21-9-5-7-19-11-12-24(26-25(19)21)28-18(4)13-17(3)27-28/h5-14,16H,15H2,1-4H3
InChIKeyLLZNWYPSYSJLIB-UHFFFAOYSA-N
XLogP5.25
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.49
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]-1-(3-propan-2-yloxyphenyl)ethanone with MolForge

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

Launch Full Analysis

Related Compounds

2-(2-methylquinolin-8-yl)-1-(3-propan-2-yloxyphenyl)ethanone
CID 158324541
methyl 2-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]oxypropanoate
CID 82108492
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3-propan-2-yloxyphenyl)ethanone
CID 114979332
ethyl 2-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]oxyacetate
CID 82108488
2-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]oxy-N-propylacetamide
CID 110382591
3-amino-1-(3-propan-2-yloxyphenyl)butan-1-one
CID 116555955
[3-[(5-methyl-2-quinolin-2-ylpyrazol-3-yl)carbamoyl]phenyl] acetate
CID 108768759
1-(3-propan-2-yloxyphenyl)but-3-en-1-one
CID 116659453
2-chloro-N'-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]ethanimidamide
CID 169366091
N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-2-(3-methylphenoxy)propanamide
CID 90539005
4,4-dimethyl-1-(3-propan-2-yloxyphenyl)pentan-1-one
CID 114970108
2-(3,5-dimethylpyrazol-1-yl)-1-naphthalen-2-ylethanone
CID 90677359

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]-1-(3-propan-2-yloxyphenyl)ethanone?
The IUPAC name of 2-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]-1-(3-propan-2-yloxyphenyl)ethanone (CID 157187192) is 2-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]-1-(3-propan-2-yloxyphenyl)ethanone.
What is the SMILES notation for 2-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]-1-(3-propan-2-yloxyphenyl)ethanone?
The canonical SMILES for 2-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]-1-(3-propan-2-yloxyphenyl)ethanone is Cc1cc(C)n(-c2ccc3cccc(CC(=O)c4cccc(OC(C)C)c4)c3n2)n1.
What is the InChIKey of 2-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]-1-(3-propan-2-yloxyphenyl)ethanone?
The InChIKey is LLZNWYPSYSJLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2/c1-16(2)30-22-10-6-8-20(14-22)23(29)15-21-9-5-7-19-11-12-24(26-25(19)21)28-18(4)13-17(3)27-28/h5-14,16H,15H2,1-4H3.
What are the key properties of 2-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]-1-(3-propan-2-yloxyphenyl)ethanone?
2-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]-1-(3-propan-2-yloxyphenyl)ethanone has a molecular weight of 399.49 g/mol, XLogP of 5.25, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]-1-(3-propan-2-yloxyphenyl)ethanone is sourced from PubChem (CID 157187192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).