6-(4-methoxyphenyl)-1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-1,5-naphthyridine

C22H22N2O4S — CID 56588648

IUPAC6-(4-methoxyphenyl)-1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-1,5-naphthyridine
SMILESCOc1ccc(-c2ccc3c(n2)CCCN3S(=O)(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C22H22N2O4S/c1-27-17-7-5-16(6-8-17)20-13-14-22-21(23-20)4-3-15-24(22)29(25,26)19-11-9-18(28-2)10-12-19/h5-14H,3-4,15H2,1-2H3
InChIKeyPKNRAUZXRVAKBG-UHFFFAOYSA-N
MW410.50 g/mol
LogP3.91
Rot. Bonds5

About 6-(4-methoxyphenyl)-1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-1,5-naphthyridine

6-(4-methoxyphenyl)-1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-1,5-naphthyridine (PubChem CID 56588648) has the molecular formula C22H22N2O4S and a molecular weight of 410.50 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-1,5-naphthyridine.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-1,5-naphthyridine
PubChem CID56588648
Molecular FormulaC22H22N2O4S
Molecular Weight410.50 g/mol
Exact Mass410.13
IUPAC Name6-(4-methoxyphenyl)-1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-1,5-naphthyridine
SMILESCOc1ccc(-c2ccc3c(n2)CCCN3S(=O)(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C22H22N2O4S/c1-27-17-7-5-16(6-8-17)20-13-14-22-21(23-20)4-3-15-24(22)29(25,26)19-11-9-18(28-2)10-12-19/h5-14H,3-4,15H2,1-2H3
InChIKeyPKNRAUZXRVAKBG-UHFFFAOYSA-N
XLogP3.91
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluorophenyl)sulfonyl-6-(4-methoxyphenyl)-3,4-dihydro-2H-1,5-naphthyridine
CID 56588672
1-(4-fluorophenyl)sulfonyl-6-phenyl-3,4-dihydro-2H-1,5-naphthyridine
CID 56588669
4-methoxy-N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]benzenesulfonamide
CID 27443628
N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-2-methylpropane-1-sulfonamide
CID 43955928
4-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzamide
CID 18125908
5-fluoro-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindole
CID 3575663
2-(4-methoxyphenoxy)-N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]acetamide
CID 18565018
N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-3-methylbutanamide
CID 27368896
N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]ethanesulfonamide
CID 43990576
methyl N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]carbamate
CID 16835393
5-(4-methoxyphenyl)-2-(4-methoxyphenyl)sulfonyl-3,4-dihydropyrazole
CID 175047201
7-methoxy-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroquinolin-4-one
CID 110635683

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-1,5-naphthyridine?
The IUPAC name of 6-(4-methoxyphenyl)-1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-1,5-naphthyridine (CID 56588648) is 6-(4-methoxyphenyl)-1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-1,5-naphthyridine.
What is the SMILES notation for 6-(4-methoxyphenyl)-1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-1,5-naphthyridine?
The canonical SMILES for 6-(4-methoxyphenyl)-1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-1,5-naphthyridine is COc1ccc(-c2ccc3c(n2)CCCN3S(=O)(=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-1,5-naphthyridine?
The InChIKey is PKNRAUZXRVAKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4S/c1-27-17-7-5-16(6-8-17)20-13-14-22-21(23-20)4-3-15-24(22)29(25,26)19-11-9-18(28-2)10-12-19/h5-14H,3-4,15H2,1-2H3.
What are the key properties of 6-(4-methoxyphenyl)-1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-1,5-naphthyridine?
6-(4-methoxyphenyl)-1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-1,5-naphthyridine has a molecular weight of 410.50 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-1,5-naphthyridine is sourced from PubChem (CID 56588648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).