6-(4-methoxy-3-methylphenyl)sulfonyl-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine

C25H24N4O3S — CID 68847177

IUPAC6-(4-methoxy-3-methylphenyl)sulfonyl-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine
SMILESCOc1ccc(S(=O)(=O)N2CCc3c(ccnc3Nc3cnc4ccccc4c3)C2)cc1C
InChIInChI=1S/C25H24N4O3S/c1-17-13-21(7-8-24(17)32-2)33(30,31)29-12-10-22-19(16-29)9-11-26-25(22)28-20-14-18-5-3-4-6-23(18)27-15-20/h3-9,11,13-15H,10,12,16H2,1-2H3,(H,26,28)
InChIKeyCEZFCZPDUIOEOI-UHFFFAOYSA-N
MW460.56 g/mol
LogP4.44
Rot. Bonds5

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

6-(4-methoxy-3-methylphenyl)sulfonyl-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine (PubChem CID 68847177) has the molecular formula C25H24N4O3S and a molecular weight of 460.56 g/mol. Its IUPAC name is 6-(4-methoxy-3-methylphenyl)sulfonyl-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine.

Molecular Properties

Compound Name6-(4-methoxy-3-methylphenyl)sulfonyl-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine
PubChem CID68847177
Molecular FormulaC25H24N4O3S
Molecular Weight460.56 g/mol
Exact Mass460.16
IUPAC Name6-(4-methoxy-3-methylphenyl)sulfonyl-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine
SMILESCOc1ccc(S(=O)(=O)N2CCc3c(ccnc3Nc3cnc4ccccc4c3)C2)cc1C
InChIInChI=1S/C25H24N4O3S/c1-17-13-21(7-8-24(17)32-2)33(30,31)29-12-10-22-19(16-29)9-11-26-25(22)28-20-14-18-5-3-4-6-23(18)27-15-20/h3-9,11,13-15H,10,12,16H2,1-2H3,(H,26,28)
InChIKeyCEZFCZPDUIOEOI-UHFFFAOYSA-N
XLogP4.44
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.56
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(4-methoxy-3-methylphenyl)sulfonyl-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine with MolForge

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Related Compounds

6-naphthalen-2-ylsulfonyl-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine
CID 68848416
6-(4-propan-2-ylphenyl)sulfonyl-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine
CID 68844408
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
6-(5-methylthiophen-2-yl)sulfonyl-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine
CID 68844013
6-(1-ethylpyrazol-4-yl)sulfonyl-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine
CID 42643599
N-quinolin-3-yl-6-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonyl-7,8-dihydro-5H-2,6-naphthyridin-1-amine
CID 68845559
6-[(2-chloro-3-pyridinyl)sulfonyl]-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine
CID 87597530
6-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine
CID 68880661
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-benzyl-1,2,5-oxadiazol-3-yl)sulfonyl]-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine
CID 91295650
6-(2-methylpropyl)-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine
CID 42645484

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxy-3-methylphenyl)sulfonyl-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine?
The IUPAC name of 6-(4-methoxy-3-methylphenyl)sulfonyl-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine (CID 68847177) is 6-(4-methoxy-3-methylphenyl)sulfonyl-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine.
What is the SMILES notation for 6-(4-methoxy-3-methylphenyl)sulfonyl-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine?
The canonical SMILES for 6-(4-methoxy-3-methylphenyl)sulfonyl-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine is COc1ccc(S(=O)(=O)N2CCc3c(ccnc3Nc3cnc4ccccc4c3)C2)cc1C.
What is the InChIKey of 6-(4-methoxy-3-methylphenyl)sulfonyl-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine?
The InChIKey is CEZFCZPDUIOEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3S/c1-17-13-21(7-8-24(17)32-2)33(30,31)29-12-10-22-19(16-29)9-11-26-25(22)28-20-14-18-5-3-4-6-23(18)27-15-20/h3-9,11,13-15H,10,12,16H2,1-2H3,(H,26,28).
What are the key properties of 6-(4-methoxy-3-methylphenyl)sulfonyl-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine?
6-(4-methoxy-3-methylphenyl)sulfonyl-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine has a molecular weight of 460.56 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxy-3-methylphenyl)sulfonyl-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine is sourced from PubChem (CID 68847177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).