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

C23H20N4O2S — CID 42645486

IUPAC6-(benzenesulfonyl)-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine
SMILESO=S(=O)(c1ccccc1)N1CCc2c(ccnc2Nc2cnc3ccccc3c2)C1
InChIInChI=1S/C23H20N4O2S/c28-30(29,20-7-2-1-3-8-20)27-13-11-21-18(16-27)10-12-24-23(21)26-19-14-17-6-4-5-9-22(17)25-15-19/h1-10,12,14-15H,11,13,16H2,(H,24,26)
InChIKeyGMBPLHUXLWINQM-UHFFFAOYSA-N
MW416.51 g/mol
LogP4.12
Rot. Bonds4

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

6-(benzenesulfonyl)-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine (PubChem CID 42645486) has the molecular formula C23H20N4O2S and a molecular weight of 416.51 g/mol. Its IUPAC name is 6-(benzenesulfonyl)-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine.

Molecular Properties

Compound Name6-(benzenesulfonyl)-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine
PubChem CID42645486
Molecular FormulaC23H20N4O2S
Molecular Weight416.51 g/mol
Exact Mass416.13
IUPAC Name6-(benzenesulfonyl)-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine
SMILESO=S(=O)(c1ccccc1)N1CCc2c(ccnc2Nc2cnc3ccccc3c2)C1
InChIInChI=1S/C23H20N4O2S/c28-30(29,20-7-2-1-3-8-20)27-13-11-21-18(16-27)10-12-24-23(21)26-19-14-17-6-4-5-9-22(17)25-15-19/h1-10,12,14-15H,11,13,16H2,(H,24,26)
InChIKeyGMBPLHUXLWINQM-UHFFFAOYSA-N
XLogP4.12
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.51
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(benzenesulfonyl)-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine?
The IUPAC name of 6-(benzenesulfonyl)-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine (CID 42645486) is 6-(benzenesulfonyl)-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine.
What is the SMILES notation for 6-(benzenesulfonyl)-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine?
The canonical SMILES for 6-(benzenesulfonyl)-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine is O=S(=O)(c1ccccc1)N1CCc2c(ccnc2Nc2cnc3ccccc3c2)C1.
What is the InChIKey of 6-(benzenesulfonyl)-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine?
The InChIKey is GMBPLHUXLWINQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2S/c28-30(29,20-7-2-1-3-8-20)27-13-11-21-18(16-27)10-12-24-23(21)26-19-14-17-6-4-5-9-22(17)25-15-19/h1-10,12,14-15H,11,13,16H2,(H,24,26).
What are the key properties of 6-(benzenesulfonyl)-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine?
6-(benzenesulfonyl)-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine has a molecular weight of 416.51 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzenesulfonyl)-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine is sourced from PubChem (CID 42645486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).