2-[2-[[2-methyl-3-(2-methylphenyl)phenyl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanol

C25H28N2O2 — CID 171633443

IUPAC2-[2-[[2-methyl-3-(2-methylphenyl)phenyl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanol
SMILESCc1ccccc1-c1cccc(COc2ccc3c(n2)CCN(CCO)C3)c1C
InChIInChI=1S/C25H28N2O2/c1-18-6-3-4-8-22(18)23-9-5-7-21(19(23)2)17-29-25-11-10-20-16-27(14-15-28)13-12-24(20)26-25/h3-11,28H,12-17H2,1-2H3
InChIKeyJAAIBAMKWPGAGV-UHFFFAOYSA-N
MW388.51 g/mol
LogP4.29
Rot. Bonds6

About 2-[2-[[2-methyl-3-(2-methylphenyl)phenyl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanol

2-[2-[[2-methyl-3-(2-methylphenyl)phenyl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanol (PubChem CID 171633443) has the molecular formula C25H28N2O2 and a molecular weight of 388.51 g/mol. Its IUPAC name is 2-[2-[[2-methyl-3-(2-methylphenyl)phenyl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanol.

Molecular Properties

Compound Name2-[2-[[2-methyl-3-(2-methylphenyl)phenyl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanol
PubChem CID171633443
Molecular FormulaC25H28N2O2
Molecular Weight388.51 g/mol
Exact Mass388.22
IUPAC Name2-[2-[[2-methyl-3-(2-methylphenyl)phenyl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanol
SMILESCc1ccccc1-c1cccc(COc2ccc3c(n2)CCN(CCO)C3)c1C
InChIInChI=1S/C25H28N2O2/c1-18-6-3-4-8-22(18)23-9-5-7-21(19(23)2)17-29-25-11-10-20-16-27(14-15-28)13-12-24(20)26-25/h3-11,28H,12-17H2,1-2H3
InChIKeyJAAIBAMKWPGAGV-UHFFFAOYSA-N
XLogP4.29
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-[[2-methyl-3-(2-methylphenyl)phenyl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanol with MolForge

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Related Compounds

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CID 6857
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2-[4-(4-Fluorophenoxy)phenyl]-6-methyl-4-(2-piperidin-1-ylethoxy)pyridine
CID 10179509
2,4-Bis-(4-ethoxy-phenyl)-6-methyl-1-(2-morpholin-4-yl-ethyl)-pyridinium
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PD-1/PD-L1-IN-9
CID 155925913
2,4-Bis(4-ethoxyphenyl)-1-(2-hydroxyethyl)-6-methylpyridinium
CID 1107544
4-(2-((4-Methylquinolin-2-yl)oxy)ethyl)morpholine hydrochloride
CID 2958972
4-Methyl-2-(2-(piperidin-1-yl)ethoxy)quinoline hydrochloride
CID 6602778
2,4-Bis(4-ethoxyphenyl)-1-(2-hydroxyethyl)-6-methylpyridin-1-ium perchlorate
CID 16189546

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-methyl-3-(2-methylphenyl)phenyl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanol?
The IUPAC name of 2-[2-[[2-methyl-3-(2-methylphenyl)phenyl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanol (CID 171633443) is 2-[2-[[2-methyl-3-(2-methylphenyl)phenyl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanol.
What is the SMILES notation for 2-[2-[[2-methyl-3-(2-methylphenyl)phenyl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanol?
The canonical SMILES for 2-[2-[[2-methyl-3-(2-methylphenyl)phenyl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanol is Cc1ccccc1-c1cccc(COc2ccc3c(n2)CCN(CCO)C3)c1C.
What is the InChIKey of 2-[2-[[2-methyl-3-(2-methylphenyl)phenyl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanol?
The InChIKey is JAAIBAMKWPGAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O2/c1-18-6-3-4-8-22(18)23-9-5-7-21(19(23)2)17-29-25-11-10-20-16-27(14-15-28)13-12-24(20)26-25/h3-11,28H,12-17H2,1-2H3.
What are the key properties of 2-[2-[[2-methyl-3-(2-methylphenyl)phenyl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanol?
2-[2-[[2-methyl-3-(2-methylphenyl)phenyl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanol has a molecular weight of 388.51 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-methyl-3-(2-methylphenyl)phenyl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanol is sourced from PubChem (CID 171633443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).