9-(2-oxo-1H-pyridin-3-yl)-8,9-dihydro-6H-[1,2,5]thiadiazolo[3,4-f]quinolin-7-one

C14H10N4O2S — CID 135636472

IUPAC9-(2-oxo-1H-pyridin-3-yl)-8,9-dihydro-6H-[1,2,5]thiadiazolo[3,4-f]quinolin-7-one
SMILESO=C1CC(c2ccc[nH]c2=O)c2c(ccc3nsnc23)N1
InChIInChI=1S/C14H10N4O2S/c19-11-6-8(7-2-1-5-15-14(7)20)12-9(16-11)3-4-10-13(12)18-21-17-10/h1-5,8H,6H2,(H,15,20)(H,16,19)
InChIKeyUSBHUFBZHAHOBW-UHFFFAOYSA-N
MW298.33 g/mol
LogP1.85
Rot. Bonds1

About 9-(2-oxo-1H-pyridin-3-yl)-8,9-dihydro-6H-[1,2,5]thiadiazolo[3,4-f]quinolin-7-one

9-(2-oxo-1H-pyridin-3-yl)-8,9-dihydro-6H-[1,2,5]thiadiazolo[3,4-f]quinolin-7-one (PubChem CID 135636472) has the molecular formula C14H10N4O2S and a molecular weight of 298.33 g/mol. Its IUPAC name is 9-(2-oxo-1H-pyridin-3-yl)-8,9-dihydro-6H-[1,2,5]thiadiazolo[3,4-f]quinolin-7-one.

Molecular Properties

Compound Name9-(2-oxo-1H-pyridin-3-yl)-8,9-dihydro-6H-[1,2,5]thiadiazolo[3,4-f]quinolin-7-one
PubChem CID135636472
Molecular FormulaC14H10N4O2S
Molecular Weight298.33 g/mol
Exact Mass298.05
IUPAC Name9-(2-oxo-1H-pyridin-3-yl)-8,9-dihydro-6H-[1,2,5]thiadiazolo[3,4-f]quinolin-7-one
SMILESO=C1CC(c2ccc[nH]c2=O)c2c(ccc3nsnc23)N1
InChIInChI=1S/C14H10N4O2S/c19-11-6-8(7-2-1-5-15-14(7)20)12-9(16-11)3-4-10-13(12)18-21-17-10/h1-5,8H,6H2,(H,15,20)(H,16,19)
InChIKeyUSBHUFBZHAHOBW-UHFFFAOYSA-N
XLogP1.85
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 9-(2-oxo-1H-pyridin-3-yl)-8,9-dihydro-6H-[1,2,5]thiadiazolo[3,4-f]quinolin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(9R)-9-(3,4-dihydroxy-5-methoxyphenyl)-8,9-dihydro-6H-[1,2,5]thiadiazolo[3,4-f]quinolin-7-one
CID 136699388
9-(4-octoxyphenyl)-8,9-dihydro-6H-[1,2,5]thiadiazolo[3,4-f]quinolin-7-one
CID 135636574
(9S)-9-(7-methoxy-1,3-benzodioxol-5-yl)-8,9-dihydro-6H-[1,2,5]thiadiazolo[3,4-f]quinolin-7-one
CID 136811438
(4R)-4-(2,1,3-benzothiadiazol-4-yl)-3-tert-butyl-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136737748
(4S)-4-(2,1,3-benzothiadiazol-4-yl)-3-tert-butyl-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136737749
(4R)-1-(oxan-4-yl)-4-(2-oxo-1H-pyridin-3-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione
CID 97265132
(9R)-9-(2,1,3-benzothiadiazol-4-yl)-4-ethyl-8,9-dihydro-6H-pyrido[2,3-g][1,4]benzoxazine-3,7-dione
CID 95144264
1-(1-methylpiperidin-4-yl)-4-(2-oxo-1H-pyridin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 169416102
(9S)-9-(2-oxo-1H-quinolin-3-yl)-2-phenyl-8,9-dihydro-6H-triazolo[4,5-f]quinolin-7-one
CID 136676667
N-[(4R)-4-(2,1,3-benzothiadiazol-4-yl)-7-methoxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl]butanamide
CID 95147744
8-oxa-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17)-hexaen-15-one
CID 90719837
8-(2,1,3-benzothiadiazol-4-yl)-2-pyrrolidin-1-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-c]azepin-6-one
CID 50967171

Frequently Asked Questions

What is the IUPAC name of 9-(2-oxo-1H-pyridin-3-yl)-8,9-dihydro-6H-[1,2,5]thiadiazolo[3,4-f]quinolin-7-one?
The IUPAC name of 9-(2-oxo-1H-pyridin-3-yl)-8,9-dihydro-6H-[1,2,5]thiadiazolo[3,4-f]quinolin-7-one (CID 135636472) is 9-(2-oxo-1H-pyridin-3-yl)-8,9-dihydro-6H-[1,2,5]thiadiazolo[3,4-f]quinolin-7-one.
What is the SMILES notation for 9-(2-oxo-1H-pyridin-3-yl)-8,9-dihydro-6H-[1,2,5]thiadiazolo[3,4-f]quinolin-7-one?
The canonical SMILES for 9-(2-oxo-1H-pyridin-3-yl)-8,9-dihydro-6H-[1,2,5]thiadiazolo[3,4-f]quinolin-7-one is O=C1CC(c2ccc[nH]c2=O)c2c(ccc3nsnc23)N1.
What is the InChIKey of 9-(2-oxo-1H-pyridin-3-yl)-8,9-dihydro-6H-[1,2,5]thiadiazolo[3,4-f]quinolin-7-one?
The InChIKey is USBHUFBZHAHOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O2S/c19-11-6-8(7-2-1-5-15-14(7)20)12-9(16-11)3-4-10-13(12)18-21-17-10/h1-5,8H,6H2,(H,15,20)(H,16,19).
What are the key properties of 9-(2-oxo-1H-pyridin-3-yl)-8,9-dihydro-6H-[1,2,5]thiadiazolo[3,4-f]quinolin-7-one?
9-(2-oxo-1H-pyridin-3-yl)-8,9-dihydro-6H-[1,2,5]thiadiazolo[3,4-f]quinolin-7-one has a molecular weight of 298.33 g/mol, XLogP of 1.85, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-oxo-1H-pyridin-3-yl)-8,9-dihydro-6H-[1,2,5]thiadiazolo[3,4-f]quinolin-7-one is sourced from PubChem (CID 135636472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).