1-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]-2-(tetrazol-1-yl)ethanone

C17H17N7O3 — CID 3869492

IUPAC1-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]-2-(tetrazol-1-yl)ethanone
SMILESCOc1cc(C(=O)N2CCCN2C(=O)Cn2cnnn2)nc2ccccc12
InChIInChI=1S/C17H17N7O3/c1-27-15-9-14(19-13-6-3-2-5-12(13)15)17(26)24-8-4-7-23(24)16(25)10-22-11-18-20-21-22/h2-3,5-6,9,11H,4,7-8,10H2,1H3
InChIKeyVFEKXJPYISQOKY-UHFFFAOYSA-N
MW367.37 g/mol
LogP0.52
Rot. Bonds4

About 1-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]-2-(tetrazol-1-yl)ethanone

1-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]-2-(tetrazol-1-yl)ethanone (PubChem CID 3869492) has the molecular formula C17H17N7O3 and a molecular weight of 367.37 g/mol. Its IUPAC name is 1-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]-2-(tetrazol-1-yl)ethanone.

Molecular Properties

Compound Name1-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]-2-(tetrazol-1-yl)ethanone
PubChem CID3869492
Molecular FormulaC17H17N7O3
Molecular Weight367.37 g/mol
Exact Mass367.14
IUPAC Name1-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]-2-(tetrazol-1-yl)ethanone
SMILESCOc1cc(C(=O)N2CCCN2C(=O)Cn2cnnn2)nc2ccccc12
InChIInChI=1S/C17H17N7O3/c1-27-15-9-14(19-13-6-3-2-5-12(13)15)17(26)24-8-4-7-23(24)16(25)10-22-11-18-20-21-22/h2-3,5-6,9,11H,4,7-8,10H2,1H3
InChIKeyVFEKXJPYISQOKY-UHFFFAOYSA-N
XLogP0.52
TPSA106.34 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.37
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]-2-(tetrazol-1-yl)ethanone?
The IUPAC name of 1-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]-2-(tetrazol-1-yl)ethanone (CID 3869492) is 1-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]-2-(tetrazol-1-yl)ethanone.
What is the SMILES notation for 1-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]-2-(tetrazol-1-yl)ethanone?
The canonical SMILES for 1-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]-2-(tetrazol-1-yl)ethanone is COc1cc(C(=O)N2CCCN2C(=O)Cn2cnnn2)nc2ccccc12.
What is the InChIKey of 1-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]-2-(tetrazol-1-yl)ethanone?
The InChIKey is VFEKXJPYISQOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N7O3/c1-27-15-9-14(19-13-6-3-2-5-12(13)15)17(26)24-8-4-7-23(24)16(25)10-22-11-18-20-21-22/h2-3,5-6,9,11H,4,7-8,10H2,1H3.
What are the key properties of 1-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]-2-(tetrazol-1-yl)ethanone?
1-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]-2-(tetrazol-1-yl)ethanone has a molecular weight of 367.37 g/mol, XLogP of 0.52, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]-2-(tetrazol-1-yl)ethanone is sourced from PubChem (CID 3869492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).