3-chloro-N-[2-[[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]methoxy]-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-2-methylbenzenesulfonamide

C28H35ClN4O5S — CID 23122571

IUPAC3-chloro-N-[2-[[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]methoxy]-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-2-methylbenzenesulfonamide
SMILESCOc1ccc(COc2nc3c(cc2NS(=O)(=O)c2cccc(Cl)c2C)CN(C)CC3)cc1OCCN(C)C
InChIInChI=1S/C28H35ClN4O5S/c1-19-22(29)7-6-8-27(19)39(34,35)31-24-16-21-17-33(4)12-11-23(21)30-28(24)38-18-20-9-10-25(36-5)26(15-20)37-14-13-32(2)3/h6-10,15-16,31H,11-14,17-18H2,1-5H3
InChIKeyMDLNLOUEDDRXIE-UHFFFAOYSA-N
MW575.13 g/mol
LogP4.36
Rot. Bonds11

About 3-chloro-N-[2-[[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]methoxy]-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-2-methylbenzenesulfonamide

3-chloro-N-[2-[[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]methoxy]-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-2-methylbenzenesulfonamide (PubChem CID 23122571) has the molecular formula C28H35ClN4O5S and a molecular weight of 575.13 g/mol. Its IUPAC name is 3-chloro-N-[2-[[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]methoxy]-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[2-[[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]methoxy]-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-2-methylbenzenesulfonamide
PubChem CID23122571
Molecular FormulaC28H35ClN4O5S
Molecular Weight575.13 g/mol
Exact Mass574.20
IUPAC Name3-chloro-N-[2-[[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]methoxy]-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-2-methylbenzenesulfonamide
SMILESCOc1ccc(COc2nc3c(cc2NS(=O)(=O)c2cccc(Cl)c2C)CN(C)CC3)cc1OCCN(C)C
InChIInChI=1S/C28H35ClN4O5S/c1-19-22(29)7-6-8-27(19)39(34,35)31-24-16-21-17-33(4)12-11-23(21)30-28(24)38-18-20-9-10-25(36-5)26(15-20)37-14-13-32(2)3/h6-10,15-16,31H,11-14,17-18H2,1-5H3
InChIKeyMDLNLOUEDDRXIE-UHFFFAOYSA-N
XLogP4.36
TPSA93.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500575.13
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-chloro-N-[2-[[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]methoxy]-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-2-methylbenzenesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-[[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]methoxy]-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-2-methylbenzenesulfonamide?
The IUPAC name of 3-chloro-N-[2-[[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]methoxy]-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-2-methylbenzenesulfonamide (CID 23122571) is 3-chloro-N-[2-[[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]methoxy]-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[2-[[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]methoxy]-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-2-methylbenzenesulfonamide?
The canonical SMILES for 3-chloro-N-[2-[[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]methoxy]-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-2-methylbenzenesulfonamide is COc1ccc(COc2nc3c(cc2NS(=O)(=O)c2cccc(Cl)c2C)CN(C)CC3)cc1OCCN(C)C.
What is the InChIKey of 3-chloro-N-[2-[[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]methoxy]-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-2-methylbenzenesulfonamide?
The InChIKey is MDLNLOUEDDRXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35ClN4O5S/c1-19-22(29)7-6-8-27(19)39(34,35)31-24-16-21-17-33(4)12-11-23(21)30-28(24)38-18-20-9-10-25(36-5)26(15-20)37-14-13-32(2)3/h6-10,15-16,31H,11-14,17-18H2,1-5H3.
What are the key properties of 3-chloro-N-[2-[[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]methoxy]-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-2-methylbenzenesulfonamide?
3-chloro-N-[2-[[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]methoxy]-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-2-methylbenzenesulfonamide has a molecular weight of 575.13 g/mol, XLogP of 4.36, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-[[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]methoxy]-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 23122571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).