(4-methoxyquinolin-2-yl)-[2-(4-methylthiadiazole-5-carbonyl)pyrazolidin-1-yl]methanone

C18H17N5O3S — CID 3835128

IUPAC(4-methoxyquinolin-2-yl)-[2-(4-methylthiadiazole-5-carbonyl)pyrazolidin-1-yl]methanone
SMILESCOc1cc(C(=O)N2CCCN2C(=O)c2snnc2C)nc2ccccc12
InChIInChI=1S/C18H17N5O3S/c1-11-16(27-21-20-11)18(25)23-9-5-8-22(23)17(24)14-10-15(26-2)12-6-3-4-7-13(12)19-14/h3-4,6-7,10H,5,8-9H2,1-2H3
InChIKeyQQJQCKAZCUNYMW-UHFFFAOYSA-N
MW383.43 g/mol
LogP2.31
Rot. Bonds3

About (4-methoxyquinolin-2-yl)-[2-(4-methylthiadiazole-5-carbonyl)pyrazolidin-1-yl]methanone

(4-methoxyquinolin-2-yl)-[2-(4-methylthiadiazole-5-carbonyl)pyrazolidin-1-yl]methanone (PubChem CID 3835128) has the molecular formula C18H17N5O3S and a molecular weight of 383.43 g/mol. Its IUPAC name is (4-methoxyquinolin-2-yl)-[2-(4-methylthiadiazole-5-carbonyl)pyrazolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-methoxyquinolin-2-yl)-[2-(4-methylthiadiazole-5-carbonyl)pyrazolidin-1-yl]methanone
PubChem CID3835128
Molecular FormulaC18H17N5O3S
Molecular Weight383.43 g/mol
Exact Mass383.11
IUPAC Name(4-methoxyquinolin-2-yl)-[2-(4-methylthiadiazole-5-carbonyl)pyrazolidin-1-yl]methanone
SMILESCOc1cc(C(=O)N2CCCN2C(=O)c2snnc2C)nc2ccccc12
InChIInChI=1S/C18H17N5O3S/c1-11-16(27-21-20-11)18(25)23-9-5-8-22(23)17(24)14-10-15(26-2)12-6-3-4-7-13(12)19-14/h3-4,6-7,10H,5,8-9H2,1-2H3
InChIKeyQQJQCKAZCUNYMW-UHFFFAOYSA-N
XLogP2.31
TPSA88.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (4-methoxyquinolin-2-yl)-[2-(4-methylthiadiazole-5-carbonyl)pyrazolidin-1-yl]methanone with MolForge

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Related Compounds

ethyl 2-(4-methoxyquinoline-2-carbonyl)pyrazolidine-1-carboxylate
CID 4596963
[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 3693938
[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone
CID 3274641
(2-chloro-3-pyridinyl)-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]methanone
CID 3669701
(2-ethyl-5-methylpyrazol-3-yl)-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]methanone
CID 3367250
4-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]-N-methyl-4-oxobutanamide
CID 3783080
2-butoxy-1-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]ethanone
CID 3724508
N-(3-acetylphenyl)-2-(4-methoxyquinoline-2-carbonyl)pyrazolidine-1-carboxamide
CID 3798626
N-[(4-fluorophenyl)methyl]-2-(4-methoxyquinoline-2-carbonyl)pyrazolidine-1-carboxamide
CID 3282085
1-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 3869492
1-(4-methoxyquinolin-2-yl)ethanone
CID 22954601
N-[3-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]-3-oxopropyl]-4-nitrobenzamide
CID 3413008

Frequently Asked Questions

What is the IUPAC name of (4-methoxyquinolin-2-yl)-[2-(4-methylthiadiazole-5-carbonyl)pyrazolidin-1-yl]methanone?
The IUPAC name of (4-methoxyquinolin-2-yl)-[2-(4-methylthiadiazole-5-carbonyl)pyrazolidin-1-yl]methanone (CID 3835128) is (4-methoxyquinolin-2-yl)-[2-(4-methylthiadiazole-5-carbonyl)pyrazolidin-1-yl]methanone.
What is the SMILES notation for (4-methoxyquinolin-2-yl)-[2-(4-methylthiadiazole-5-carbonyl)pyrazolidin-1-yl]methanone?
The canonical SMILES for (4-methoxyquinolin-2-yl)-[2-(4-methylthiadiazole-5-carbonyl)pyrazolidin-1-yl]methanone is COc1cc(C(=O)N2CCCN2C(=O)c2snnc2C)nc2ccccc12.
What is the InChIKey of (4-methoxyquinolin-2-yl)-[2-(4-methylthiadiazole-5-carbonyl)pyrazolidin-1-yl]methanone?
The InChIKey is QQJQCKAZCUNYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O3S/c1-11-16(27-21-20-11)18(25)23-9-5-8-22(23)17(24)14-10-15(26-2)12-6-3-4-7-13(12)19-14/h3-4,6-7,10H,5,8-9H2,1-2H3.
What are the key properties of (4-methoxyquinolin-2-yl)-[2-(4-methylthiadiazole-5-carbonyl)pyrazolidin-1-yl]methanone?
(4-methoxyquinolin-2-yl)-[2-(4-methylthiadiazole-5-carbonyl)pyrazolidin-1-yl]methanone has a molecular weight of 383.43 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyquinolin-2-yl)-[2-(4-methylthiadiazole-5-carbonyl)pyrazolidin-1-yl]methanone is sourced from PubChem (CID 3835128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).