9-(1,3-thiazol-4-yl)-1,6,8,9-tetrahydropyrazolo[5,4-f]quinolin-7-one

C13H10N4OS — CID 169422093

IUPAC9-(1,3-thiazol-4-yl)-1,6,8,9-tetrahydropyrazolo[5,4-f]quinolin-7-one
SMILESO=C1CC(c2cscn2)c2c(ccc3cn[nH]c23)N1
InChIInChI=1S/C13H10N4OS/c18-11-3-8(10-5-19-6-14-10)12-9(16-11)2-1-7-4-15-17-13(7)12/h1-2,4-6,8H,3H2,(H,15,17)(H,16,18)
InChIKeyMZGIXNHDQVEVBJ-UHFFFAOYSA-N
MW270.32 g/mol
LogP2.49
Rot. Bonds1

About 9-(1,3-thiazol-4-yl)-1,6,8,9-tetrahydropyrazolo[5,4-f]quinolin-7-one

9-(1,3-thiazol-4-yl)-1,6,8,9-tetrahydropyrazolo[5,4-f]quinolin-7-one (PubChem CID 169422093) has the molecular formula C13H10N4OS and a molecular weight of 270.32 g/mol. Its IUPAC name is 9-(1,3-thiazol-4-yl)-1,6,8,9-tetrahydropyrazolo[5,4-f]quinolin-7-one.

Molecular Properties

Compound Name9-(1,3-thiazol-4-yl)-1,6,8,9-tetrahydropyrazolo[5,4-f]quinolin-7-one
PubChem CID169422093
Molecular FormulaC13H10N4OS
Molecular Weight270.32 g/mol
Exact Mass270.06
IUPAC Name9-(1,3-thiazol-4-yl)-1,6,8,9-tetrahydropyrazolo[5,4-f]quinolin-7-one
SMILESO=C1CC(c2cscn2)c2c(ccc3cn[nH]c23)N1
InChIInChI=1S/C13H10N4OS/c18-11-3-8(10-5-19-6-14-10)12-9(16-11)2-1-7-4-15-17-13(7)12/h1-2,4-6,8H,3H2,(H,15,17)(H,16,18)
InChIKeyMZGIXNHDQVEVBJ-UHFFFAOYSA-N
XLogP2.49
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

9-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,6,8,9-tetrahydropyrazolo[5,4-f]quinolin-7-one
CID 169414693
9-[3-[(dimethylamino)methyl]-4-hydroxyphenyl]-1,6,8,9-tetrahydropyrazolo[5,4-f]quinolin-7-one
CID 169413087
9-[4-(dimethylamino)-2-methylphenyl]-1,6,8,9-tetrahydropyrazolo[5,4-f]quinolin-7-one
CID 170508995
9-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-1,6,8,9-tetrahydropyrazolo[5,4-f]quinolin-7-one
CID 169422035
9-(2-chlorophenyl)-2,4,6,12,13-pentazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),11(15),13,16-pentaene-5,7-dione
CID 137081768
5,6,7-trimethoxy-4-(6-methoxy-2-pyridinyl)-3,4-dihydro-1H-quinolin-2-one
CID 170508079
16-(3,4-dimethylphenyl)-3,4,10-triazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2(6),4,7,11(15)-pentaen-14-one
CID 139214982
1-(4-fluorophenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
CID 2933284
(1R)-1-(3-ethoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
CID 2231068
(4R)-4-(4-methylsulfanylphenyl)-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one
CID 135902518
4-(4-methylsulfanylphenyl)-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one
CID 135637572
(1S)-1-(2,4-dichlorophenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
CID 673088

Frequently Asked Questions

What is the IUPAC name of 9-(1,3-thiazol-4-yl)-1,6,8,9-tetrahydropyrazolo[5,4-f]quinolin-7-one?
The IUPAC name of 9-(1,3-thiazol-4-yl)-1,6,8,9-tetrahydropyrazolo[5,4-f]quinolin-7-one (CID 169422093) is 9-(1,3-thiazol-4-yl)-1,6,8,9-tetrahydropyrazolo[5,4-f]quinolin-7-one.
What is the SMILES notation for 9-(1,3-thiazol-4-yl)-1,6,8,9-tetrahydropyrazolo[5,4-f]quinolin-7-one?
The canonical SMILES for 9-(1,3-thiazol-4-yl)-1,6,8,9-tetrahydropyrazolo[5,4-f]quinolin-7-one is O=C1CC(c2cscn2)c2c(ccc3cn[nH]c23)N1.
What is the InChIKey of 9-(1,3-thiazol-4-yl)-1,6,8,9-tetrahydropyrazolo[5,4-f]quinolin-7-one?
The InChIKey is MZGIXNHDQVEVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4OS/c18-11-3-8(10-5-19-6-14-10)12-9(16-11)2-1-7-4-15-17-13(7)12/h1-2,4-6,8H,3H2,(H,15,17)(H,16,18).
What are the key properties of 9-(1,3-thiazol-4-yl)-1,6,8,9-tetrahydropyrazolo[5,4-f]quinolin-7-one?
9-(1,3-thiazol-4-yl)-1,6,8,9-tetrahydropyrazolo[5,4-f]quinolin-7-one has a molecular weight of 270.32 g/mol, XLogP of 2.49, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1,3-thiazol-4-yl)-1,6,8,9-tetrahydropyrazolo[5,4-f]quinolin-7-one is sourced from PubChem (CID 169422093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).