6-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine

C23H18N6O2S2 — CID 68880661

IUPAC6-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine
SMILESO=S(=O)(c1cccc2nsnc12)N1CCc2c(ccnc2Nc2cnc3ccccc3c2)C1
InChIInChI=1S/C23H18N6O2S2/c30-33(31,21-7-3-6-20-22(21)28-32-27-20)29-11-9-18-16(14-29)8-10-24-23(18)26-17-12-15-4-1-2-5-19(15)25-13-17/h1-8,10,12-13H,9,11,14H2,(H,24,26)
InChIKeyWKPZAOJBKVGOIY-UHFFFAOYSA-N
MW474.57 g/mol
LogP4.13
Rot. Bonds4

About 6-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine

6-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine (PubChem CID 68880661) has the molecular formula C23H18N6O2S2 and a molecular weight of 474.57 g/mol. Its IUPAC name is 6-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine.

Molecular Properties

Compound Name6-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine
PubChem CID68880661
Molecular FormulaC23H18N6O2S2
Molecular Weight474.57 g/mol
Exact Mass474.09
IUPAC Name6-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine
SMILESO=S(=O)(c1cccc2nsnc12)N1CCc2c(ccnc2Nc2cnc3ccccc3c2)C1
InChIInChI=1S/C23H18N6O2S2/c30-33(31,21-7-3-6-20-22(21)28-32-27-20)29-11-9-18-16(14-29)8-10-24-23(18)26-17-12-15-4-1-2-5-19(15)25-13-17/h1-8,10,12-13H,9,11,14H2,(H,24,26)
InChIKeyWKPZAOJBKVGOIY-UHFFFAOYSA-N
XLogP4.13
TPSA100.97 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.57
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6-[(2-chloro-3-pyridinyl)sulfonyl]-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine
CID 87597530
6-naphthalen-2-ylsulfonyl-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine
CID 68848416
6-(5-methylthiophen-2-yl)sulfonyl-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine
CID 68844013
6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonyl-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine
CID 42643852
6-(4-propan-2-ylphenyl)sulfonyl-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine
CID 68844408
6-(4-methoxy-3-methylphenyl)sulfonyl-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine
CID 68847177
6-(1-ethylpyrazol-4-yl)sulfonyl-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine
CID 42643599
2-fluoro-5-[[5-(quinolin-3-ylamino)-3,4-dihydro-1H-2,6-naphthyridin-2-yl]sulfonyl]benzoic acid
CID 68879608
4-chloro-2-methoxy-5-[[5-(quinolin-3-ylamino)-3,4-dihydro-1H-2,6-naphthyridin-2-yl]sulfonyl]benzoic acid
CID 68879283
N-quinolin-3-yl-6-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonyl-7,8-dihydro-5H-2,6-naphthyridin-1-amine
CID 68845559
6-[(4-benzyl-1,2,5-oxadiazol-3-yl)sulfonyl]-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine
CID 91295650
4-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-ylsulfonyl)-2,1,3-benzothiadiazole
CID 163350944

Frequently Asked Questions

What is the IUPAC name of 6-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine?
The IUPAC name of 6-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine (CID 68880661) is 6-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine.
What is the SMILES notation for 6-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine?
The canonical SMILES for 6-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine is O=S(=O)(c1cccc2nsnc12)N1CCc2c(ccnc2Nc2cnc3ccccc3c2)C1.
What is the InChIKey of 6-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine?
The InChIKey is WKPZAOJBKVGOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N6O2S2/c30-33(31,21-7-3-6-20-22(21)28-32-27-20)29-11-9-18-16(14-29)8-10-24-23(18)26-17-12-15-4-1-2-5-19(15)25-13-17/h1-8,10,12-13H,9,11,14H2,(H,24,26).
What are the key properties of 6-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine?
6-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine has a molecular weight of 474.57 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine is sourced from PubChem (CID 68880661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).