[7-(2-methyl-1,3-benzothiazol-6-yl)-3H-pyrazolo[4,5-f]quinolin-9-yl] formate

C19H12N4O2S — CID 158324512

IUPAC[7-(2-methyl-1,3-benzothiazol-6-yl)-3H-pyrazolo[4,5-f]quinolin-9-yl] formate
SMILESCc1nc2ccc(-c3cc(OC=O)c4c(ccc5[nH]ncc54)n3)cc2s1
InChIInChI=1S/C19H12N4O2S/c1-10-21-14-3-2-11(6-18(14)26-10)16-7-17(25-9-24)19-12-8-20-23-13(12)4-5-15(19)22-16/h2-9H,1H3,(H,20,23)
InChIKeyHJOAERVGSSMZHP-UHFFFAOYSA-N
MW360.40 g/mol
LogP4.23
Rot. Bonds3

About [7-(2-methyl-1,3-benzothiazol-6-yl)-3H-pyrazolo[4,5-f]quinolin-9-yl] formate

[7-(2-methyl-1,3-benzothiazol-6-yl)-3H-pyrazolo[4,5-f]quinolin-9-yl] formate (PubChem CID 158324512) has the molecular formula C19H12N4O2S and a molecular weight of 360.40 g/mol. Its IUPAC name is [7-(2-methyl-1,3-benzothiazol-6-yl)-3H-pyrazolo[4,5-f]quinolin-9-yl] formate.

Molecular Properties

Compound Name[7-(2-methyl-1,3-benzothiazol-6-yl)-3H-pyrazolo[4,5-f]quinolin-9-yl] formate
PubChem CID158324512
Molecular FormulaC19H12N4O2S
Molecular Weight360.40 g/mol
Exact Mass360.07
IUPAC Name[7-(2-methyl-1,3-benzothiazol-6-yl)-3H-pyrazolo[4,5-f]quinolin-9-yl] formate
SMILESCc1nc2ccc(-c3cc(OC=O)c4c(ccc5[nH]ncc54)n3)cc2s1
InChIInChI=1S/C19H12N4O2S/c1-10-21-14-3-2-11(6-18(14)26-10)16-7-17(25-9-24)19-12-8-20-23-13(12)4-5-15(19)22-16/h2-9H,1H3,(H,20,23)
InChIKeyHJOAERVGSSMZHP-UHFFFAOYSA-N
XLogP4.23
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-(chroman-3-yl)-6-(1H-pyrazol-4-yl)benzo[d]thiazole
CID 46879641
2-(chroman-3-yl)-6-(3-methyl-1H-pyrazol-4-yl)benzo[d]thiazole
CID 46879642
6-[5-[4-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-1-yl]-1H-indazol-3-yl]-2-methyl-1,3-benzothiazole
CID 56969441
2-[2-(3-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)-1,3-benzothiazole
CID 70908888
[7-(2-amino-1,3-benzothiazol-6-yl)-3H-pyrazolo[4,5-f]quinolin-9-yl] formate
CID 155619067
5-fluoro-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;[7-(2-methyl-1,3-benzothiazol-6-yl)-3H-pyrazolo[4,5-f]quinolin-9-yl] formate;1-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;7-(5-methyl-2H-pyrrol-4-yl)-9-pyridin-2-yl-3H-pyrazolo[4,5-f]quinoline
CID 158939510
(2S,7S,8S)-8-(2-methyl-1,3-benzothiazol-6-yl)-3-oxa-9,14,15-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),11,13(17),15-tetraene
CID 170246661
azane;[7-(1,3-benzothiazol-6-yl)-3a,9b-dihydro-3H-pyrazolo[4,3-f]quinolin-9-yl] formate;(2E)-N-[(2Z,5E)-4,9-dihydro-1H-diazonin-6-yl]-1-(3-ethenyl-4-methanimidoylphenyl)-2-ethylidenepentan-1-imine;N-[(Z)-[(E)-4-[[(E)-1-(3,4-dihydroisoquinolin-8-yl)but-2-enylidene]amino]but-3-enylidene]amino]prop-2-en-1-amine;7-[(E)-2-(3-ethenyl-4-pyridinyl)ethenyl]-6,7,8,9,10,11-hexahydro-3H-pyrazolo[4,5-a]phenanthridine;propane;N-[(Z)-2-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]ethenyl]methanimine;hydrochloride
CID 172916962

Frequently Asked Questions

What is the IUPAC name of [7-(2-methyl-1,3-benzothiazol-6-yl)-3H-pyrazolo[4,5-f]quinolin-9-yl] formate?
The IUPAC name of [7-(2-methyl-1,3-benzothiazol-6-yl)-3H-pyrazolo[4,5-f]quinolin-9-yl] formate (CID 158324512) is [7-(2-methyl-1,3-benzothiazol-6-yl)-3H-pyrazolo[4,5-f]quinolin-9-yl] formate.
What is the SMILES notation for [7-(2-methyl-1,3-benzothiazol-6-yl)-3H-pyrazolo[4,5-f]quinolin-9-yl] formate?
The canonical SMILES for [7-(2-methyl-1,3-benzothiazol-6-yl)-3H-pyrazolo[4,5-f]quinolin-9-yl] formate is Cc1nc2ccc(-c3cc(OC=O)c4c(ccc5[nH]ncc54)n3)cc2s1.
What is the InChIKey of [7-(2-methyl-1,3-benzothiazol-6-yl)-3H-pyrazolo[4,5-f]quinolin-9-yl] formate?
The InChIKey is HJOAERVGSSMZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N4O2S/c1-10-21-14-3-2-11(6-18(14)26-10)16-7-17(25-9-24)19-12-8-20-23-13(12)4-5-15(19)22-16/h2-9H,1H3,(H,20,23).
What are the key properties of [7-(2-methyl-1,3-benzothiazol-6-yl)-3H-pyrazolo[4,5-f]quinolin-9-yl] formate?
[7-(2-methyl-1,3-benzothiazol-6-yl)-3H-pyrazolo[4,5-f]quinolin-9-yl] formate has a molecular weight of 360.40 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(2-methyl-1,3-benzothiazol-6-yl)-3H-pyrazolo[4,5-f]quinolin-9-yl] formate is sourced from PubChem (CID 158324512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).