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

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Related Compounds

4-chloro-6-methoxy-2-propylquinazoline
CID 106584452
2-(ethylamino)-6-methoxy-3H-quinazolin-4-one
CID 137287759
6-methoxy-2-methyl-3H-quinazolin-4-one
CID 135449497
4-(4-chlorophenyl)-6-methoxy-2-(4-methoxyphenyl)quinoline
CID 11100859
4-chloro-6,7-dimethoxy-2-propylquinoline
CID 43668677
4-fluoro-6-methoxy-3H-quinazolin-2-one
CID 70521421
6-methoxy-3-phenyl-2-propylquinazolin-4-one
CID 154639055
2-chloro-6-methoxy-3-propylquinoline
CID 63231530
1-[2-(3,4-dichlorophenyl)-6-methoxyquinolin-4-yl]-2-(diethylamino)ethanol
CID 90669087
6-methoxy-4-piperazin-1-yl-2-propylquinoline
CID 121237076
3-(2-aminopropyl)-2-chloro-6-methoxyquinazolin-4-one
CID 117264100
5-chloro-3-[(4-methoxyphenyl)methyl]-1H-pyridazin-6-one
CID 117106835

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).