4-(4-chloro-6-methoxyquinolin-2-yl)-5-propyl-1,2-dihydropyrazol-3-one

C16H16ClN3O2 — CID 69058334

IUPAC4-(4-chloro-6-methoxyquinolin-2-yl)-5-propyl-1,2-dihydropyrazol-3-one
SMILESCCCc1[nH][nH]c(=O)c1-c1cc(Cl)c2cc(OC)ccc2n1
InChIInChI=1S/C16H16ClN3O2/c1-3-4-13-15(16(21)20-19-13)14-8-11(17)10-7-9(22-2)5-6-12(10)18-14/h5-8H,3-4H2,1-2H3,(H2,19,20,21)
InChIKeyYLRFYVMUHQQINN-UHFFFAOYSA-N
MW317.78 g/mol
LogP3.53
Rot. Bonds4

About 4-(4-chloro-6-methoxyquinolin-2-yl)-5-propyl-1,2-dihydropyrazol-3-one

4-(4-chloro-6-methoxyquinolin-2-yl)-5-propyl-1,2-dihydropyrazol-3-one (PubChem CID 69058334) has the molecular formula C16H16ClN3O2 and a molecular weight of 317.78 g/mol. Its IUPAC name is 4-(4-chloro-6-methoxyquinolin-2-yl)-5-propyl-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name4-(4-chloro-6-methoxyquinolin-2-yl)-5-propyl-1,2-dihydropyrazol-3-one
PubChem CID69058334
Molecular FormulaC16H16ClN3O2
Molecular Weight317.78 g/mol
Exact Mass317.09
IUPAC Name4-(4-chloro-6-methoxyquinolin-2-yl)-5-propyl-1,2-dihydropyrazol-3-one
SMILESCCCc1[nH][nH]c(=O)c1-c1cc(Cl)c2cc(OC)ccc2n1
InChIInChI=1S/C16H16ClN3O2/c1-3-4-13-15(16(21)20-19-13)14-8-11(17)10-7-9(22-2)5-6-12(10)18-14/h5-8H,3-4H2,1-2H3,(H2,19,20,21)
InChIKeyYLRFYVMUHQQINN-UHFFFAOYSA-N
XLogP3.53
TPSA70.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.78
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(4-chloro-6-methoxyquinolin-2-yl)-5-propyl-1,2-dihydropyrazol-3-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 4-(4-chloro-6-methoxyquinolin-2-yl)-5-propyl-1,2-dihydropyrazol-3-one?
The IUPAC name of 4-(4-chloro-6-methoxyquinolin-2-yl)-5-propyl-1,2-dihydropyrazol-3-one (CID 69058334) is 4-(4-chloro-6-methoxyquinolin-2-yl)-5-propyl-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 4-(4-chloro-6-methoxyquinolin-2-yl)-5-propyl-1,2-dihydropyrazol-3-one?
The canonical SMILES for 4-(4-chloro-6-methoxyquinolin-2-yl)-5-propyl-1,2-dihydropyrazol-3-one is CCCc1[nH][nH]c(=O)c1-c1cc(Cl)c2cc(OC)ccc2n1.
What is the InChIKey of 4-(4-chloro-6-methoxyquinolin-2-yl)-5-propyl-1,2-dihydropyrazol-3-one?
The InChIKey is YLRFYVMUHQQINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O2/c1-3-4-13-15(16(21)20-19-13)14-8-11(17)10-7-9(22-2)5-6-12(10)18-14/h5-8H,3-4H2,1-2H3,(H2,19,20,21).
What are the key properties of 4-(4-chloro-6-methoxyquinolin-2-yl)-5-propyl-1,2-dihydropyrazol-3-one?
4-(4-chloro-6-methoxyquinolin-2-yl)-5-propyl-1,2-dihydropyrazol-3-one has a molecular weight of 317.78 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-6-methoxyquinolin-2-yl)-5-propyl-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 69058334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).