3-[2-acetyl-3-(1-propylindazol-5-yl)-3,4-dihydropyrazol-5-yl]-6-chloro-4-phenyl-1H-quinolin-2-one

C30H26ClN5O2 — CID 155540192

IUPAC3-[2-acetyl-3-(1-propylindazol-5-yl)-3,4-dihydropyrazol-5-yl]-6-chloro-4-phenyl-1H-quinolin-2-one
SMILESCCCn1ncc2cc(C3CC(c4c(-c5ccccc5)c5cc(Cl)ccc5[nH]c4=O)=NN3C(C)=O)ccc21
InChIInChI=1S/C30H26ClN5O2/c1-3-13-35-26-12-9-20(14-21(26)17-32-35)27-16-25(34-36(27)18(2)37)29-28(19-7-5-4-6-8-19)23-15-22(31)10-11-24(23)33-30(29)38/h4-12,14-15,17,27H,3,13,16H2,1-2H3,(H,33,38)
InChIKeyWQOQVYXTKUHYSR-UHFFFAOYSA-N
MW524.02 g/mol
LogP6.31
Rot. Bonds5

About 3-[2-acetyl-3-(1-propylindazol-5-yl)-3,4-dihydropyrazol-5-yl]-6-chloro-4-phenyl-1H-quinolin-2-one

3-[2-acetyl-3-(1-propylindazol-5-yl)-3,4-dihydropyrazol-5-yl]-6-chloro-4-phenyl-1H-quinolin-2-one (PubChem CID 155540192) has the molecular formula C30H26ClN5O2 and a molecular weight of 524.02 g/mol. Its IUPAC name is 3-[2-acetyl-3-(1-propylindazol-5-yl)-3,4-dihydropyrazol-5-yl]-6-chloro-4-phenyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[2-acetyl-3-(1-propylindazol-5-yl)-3,4-dihydropyrazol-5-yl]-6-chloro-4-phenyl-1H-quinolin-2-one
PubChem CID155540192
Molecular FormulaC30H26ClN5O2
Molecular Weight524.02 g/mol
Exact Mass523.18
IUPAC Name3-[2-acetyl-3-(1-propylindazol-5-yl)-3,4-dihydropyrazol-5-yl]-6-chloro-4-phenyl-1H-quinolin-2-one
SMILESCCCn1ncc2cc(C3CC(c4c(-c5ccccc5)c5cc(Cl)ccc5[nH]c4=O)=NN3C(C)=O)ccc21
InChIInChI=1S/C30H26ClN5O2/c1-3-13-35-26-12-9-20(14-21(26)17-32-35)27-16-25(34-36(27)18(2)37)29-28(19-7-5-4-6-8-19)23-15-22(31)10-11-24(23)33-30(29)38/h4-12,14-15,17,27H,3,13,16H2,1-2H3,(H,33,38)
InChIKeyWQOQVYXTKUHYSR-UHFFFAOYSA-N
XLogP6.31
TPSA83.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.02
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[2-acetyl-3-(1-propylindazol-5-yl)-3,4-dihydropyrazol-5-yl]-6-chloro-4-phenyl-1H-quinolin-2-one 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 3-[2-acetyl-3-(1-propylindazol-5-yl)-3,4-dihydropyrazol-5-yl]-6-chloro-4-phenyl-1H-quinolin-2-one?
The IUPAC name of 3-[2-acetyl-3-(1-propylindazol-5-yl)-3,4-dihydropyrazol-5-yl]-6-chloro-4-phenyl-1H-quinolin-2-one (CID 155540192) is 3-[2-acetyl-3-(1-propylindazol-5-yl)-3,4-dihydropyrazol-5-yl]-6-chloro-4-phenyl-1H-quinolin-2-one.
What is the SMILES notation for 3-[2-acetyl-3-(1-propylindazol-5-yl)-3,4-dihydropyrazol-5-yl]-6-chloro-4-phenyl-1H-quinolin-2-one?
The canonical SMILES for 3-[2-acetyl-3-(1-propylindazol-5-yl)-3,4-dihydropyrazol-5-yl]-6-chloro-4-phenyl-1H-quinolin-2-one is CCCn1ncc2cc(C3CC(c4c(-c5ccccc5)c5cc(Cl)ccc5[nH]c4=O)=NN3C(C)=O)ccc21.
What is the InChIKey of 3-[2-acetyl-3-(1-propylindazol-5-yl)-3,4-dihydropyrazol-5-yl]-6-chloro-4-phenyl-1H-quinolin-2-one?
The InChIKey is WQOQVYXTKUHYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26ClN5O2/c1-3-13-35-26-12-9-20(14-21(26)17-32-35)27-16-25(34-36(27)18(2)37)29-28(19-7-5-4-6-8-19)23-15-22(31)10-11-24(23)33-30(29)38/h4-12,14-15,17,27H,3,13,16H2,1-2H3,(H,33,38).
What are the key properties of 3-[2-acetyl-3-(1-propylindazol-5-yl)-3,4-dihydropyrazol-5-yl]-6-chloro-4-phenyl-1H-quinolin-2-one?
3-[2-acetyl-3-(1-propylindazol-5-yl)-3,4-dihydropyrazol-5-yl]-6-chloro-4-phenyl-1H-quinolin-2-one has a molecular weight of 524.02 g/mol, XLogP of 6.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-acetyl-3-(1-propylindazol-5-yl)-3,4-dihydropyrazol-5-yl]-6-chloro-4-phenyl-1H-quinolin-2-one is sourced from PubChem (CID 155540192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).