2-(1,3-benzothiazol-2-yl)-1H-pyrazolo[4,3-c]quinolin-3-one

C17H10N4OS — CID 52916662

IUPAC2-(1,3-benzothiazol-2-yl)-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESO=c1c2cnc3ccccc3c2[nH]n1-c1nc2ccccc2s1
InChIInChI=1S/C17H10N4OS/c22-16-11-9-18-12-6-2-1-5-10(12)15(11)20-21(16)17-19-13-7-3-4-8-14(13)23-17/h1-9,20H
InChIKeyBDMKMYMFQKVLKT-UHFFFAOYSA-N
MW318.36 g/mol
LogP3.48
Rot. Bonds1

About 2-(1,3-benzothiazol-2-yl)-1H-pyrazolo[4,3-c]quinolin-3-one

2-(1,3-benzothiazol-2-yl)-1H-pyrazolo[4,3-c]quinolin-3-one (PubChem CID 52916662) has the molecular formula C17H10N4OS and a molecular weight of 318.36 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-yl)-1H-pyrazolo[4,3-c]quinolin-3-one.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-yl)-1H-pyrazolo[4,3-c]quinolin-3-one
PubChem CID52916662
Molecular FormulaC17H10N4OS
Molecular Weight318.36 g/mol
Exact Mass318.06
IUPAC Name2-(1,3-benzothiazol-2-yl)-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESO=c1c2cnc3ccccc3c2[nH]n1-c1nc2ccccc2s1
InChIInChI=1S/C17H10N4OS/c22-16-11-9-18-12-6-2-1-5-10(12)15(11)20-21(16)17-19-13-7-3-4-8-14(13)23-17/h1-9,20H
InChIKeyBDMKMYMFQKVLKT-UHFFFAOYSA-N
XLogP3.48
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_B(7)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-yl)-1H-pyrazolo[4,3-c]quinolin-3-one?
The IUPAC name of 2-(1,3-benzothiazol-2-yl)-1H-pyrazolo[4,3-c]quinolin-3-one (CID 52916662) is 2-(1,3-benzothiazol-2-yl)-1H-pyrazolo[4,3-c]quinolin-3-one.
What is the SMILES notation for 2-(1,3-benzothiazol-2-yl)-1H-pyrazolo[4,3-c]quinolin-3-one?
The canonical SMILES for 2-(1,3-benzothiazol-2-yl)-1H-pyrazolo[4,3-c]quinolin-3-one is O=c1c2cnc3ccccc3c2[nH]n1-c1nc2ccccc2s1.
What is the InChIKey of 2-(1,3-benzothiazol-2-yl)-1H-pyrazolo[4,3-c]quinolin-3-one?
The InChIKey is BDMKMYMFQKVLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10N4OS/c22-16-11-9-18-12-6-2-1-5-10(12)15(11)20-21(16)17-19-13-7-3-4-8-14(13)23-17/h1-9,20H.
What are the key properties of 2-(1,3-benzothiazol-2-yl)-1H-pyrazolo[4,3-c]quinolin-3-one?
2-(1,3-benzothiazol-2-yl)-1H-pyrazolo[4,3-c]quinolin-3-one has a molecular weight of 318.36 g/mol, XLogP of 3.48, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-yl)-1H-pyrazolo[4,3-c]quinolin-3-one is sourced from PubChem (CID 52916662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).