4-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-ylsulfonyl)-2,1,3-benzothiadiazole

C17H13N5O2S2 — CID 163350944

IUPAC4-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-ylsulfonyl)-2,1,3-benzothiadiazole
SMILESO=S(=O)(c1cccc2nsnc12)N1CCc2nc3ncccc3cc2C1
InChIInChI=1S/C17H13N5O2S2/c23-26(24,15-5-1-4-14-16(15)21-25-20-14)22-8-6-13-12(10-22)9-11-3-2-7-18-17(11)19-13/h1-5,7,9H,6,8,10H2
InChIKeyCHSQXFDGOLAKIA-UHFFFAOYSA-N
MW383.46 g/mol
LogP2.38
Rot. Bonds2

About 4-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-ylsulfonyl)-2,1,3-benzothiadiazole

4-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-ylsulfonyl)-2,1,3-benzothiadiazole (PubChem CID 163350944) has the molecular formula C17H13N5O2S2 and a molecular weight of 383.46 g/mol. Its IUPAC name is 4-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-ylsulfonyl)-2,1,3-benzothiadiazole.

Molecular Properties

Compound Name4-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-ylsulfonyl)-2,1,3-benzothiadiazole
PubChem CID163350944
Molecular FormulaC17H13N5O2S2
Molecular Weight383.46 g/mol
Exact Mass383.05
IUPAC Name4-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-ylsulfonyl)-2,1,3-benzothiadiazole
SMILESO=S(=O)(c1cccc2nsnc12)N1CCc2nc3ncccc3cc2C1
InChIInChI=1S/C17H13N5O2S2/c23-26(24,15-5-1-4-14-16(15)21-25-20-14)22-8-6-13-12(10-22)9-11-3-2-7-18-17(11)19-13/h1-5,7,9H,6,8,10H2
InChIKeyCHSQXFDGOLAKIA-UHFFFAOYSA-N
XLogP2.38
TPSA88.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-ylsulfonyl)-2,1,3-benzothiadiazole with MolForge

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Related Compounds

4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-ylsulfonyl)-2,1,3-benzothiadiazole
CID 121191286
4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-ylsulfonyl)-2,1,3-benzothiadiazole
CID 72864894
4-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-ylsulfonyl)morpholine
CID 163350610
6-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine
CID 68880661
4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-(1,3-thiazol-2-yl)piperazin-2-one
CID 134161910
2-(4-fluorophenyl)-6-quinolin-8-ylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 53147366
4-[[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)-1,4-diazepan-1-yl]sulfonyl]-2,1,3-benzothiadiazole
CID 46384830
4-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-ylsulfonyl)-2,1,3-benzothiadiazole
CID 24590337
(3S,4S)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidine-3,4-diol
CID 56898413
4-[(6-bromo-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)sulfonyl]-2,1,3-benzothiadiazole
CID 42568780
4-(4-pyridin-4-ylpiperidin-1-yl)sulfonyl-2,1,3-benzothiadiazole
CID 22585591
8-(4-quinolin-8-ylsulfonylpiperazin-1-yl)sulfonylquinoline
CID 4173018

Frequently Asked Questions

What is the IUPAC name of 4-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-ylsulfonyl)-2,1,3-benzothiadiazole?
The IUPAC name of 4-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-ylsulfonyl)-2,1,3-benzothiadiazole (CID 163350944) is 4-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-ylsulfonyl)-2,1,3-benzothiadiazole.
What is the SMILES notation for 4-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-ylsulfonyl)-2,1,3-benzothiadiazole?
The canonical SMILES for 4-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-ylsulfonyl)-2,1,3-benzothiadiazole is O=S(=O)(c1cccc2nsnc12)N1CCc2nc3ncccc3cc2C1.
What is the InChIKey of 4-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-ylsulfonyl)-2,1,3-benzothiadiazole?
The InChIKey is CHSQXFDGOLAKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O2S2/c23-26(24,15-5-1-4-14-16(15)21-25-20-14)22-8-6-13-12(10-22)9-11-3-2-7-18-17(11)19-13/h1-5,7,9H,6,8,10H2.
What are the key properties of 4-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-ylsulfonyl)-2,1,3-benzothiadiazole?
4-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-ylsulfonyl)-2,1,3-benzothiadiazole has a molecular weight of 383.46 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-ylsulfonyl)-2,1,3-benzothiadiazole is sourced from PubChem (CID 163350944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).