4-[(4-methylphenoxy)methyl]-10-phenyl-2H-thiopyrano[2,3-b][1,8]naphthyridin-5-one

C25H20N2O2S — CID 24801775

IUPAC4-[(4-methylphenoxy)methyl]-10-phenyl-2H-thiopyrano[2,3-b][1,8]naphthyridin-5-one
SMILESCc1ccc(OCC2=CCSc3c2c(=O)c2cccnc2n3-c2ccccc2)cc1
InChIInChI=1S/C25H20N2O2S/c1-17-9-11-20(12-10-17)29-16-18-13-15-30-25-22(18)23(28)21-8-5-14-26-24(21)27(25)19-6-3-2-4-7-19/h2-14H,15-16H2,1H3
InChIKeyOYZGIPXVOQIEER-UHFFFAOYSA-N
MW412.51 g/mol
LogP5.26
Rot. Bonds4

About 4-[(4-methylphenoxy)methyl]-10-phenyl-2H-thiopyrano[2,3-b][1,8]naphthyridin-5-one

4-[(4-methylphenoxy)methyl]-10-phenyl-2H-thiopyrano[2,3-b][1,8]naphthyridin-5-one (PubChem CID 24801775) has the molecular formula C25H20N2O2S and a molecular weight of 412.51 g/mol. Its IUPAC name is 4-[(4-methylphenoxy)methyl]-10-phenyl-2H-thiopyrano[2,3-b][1,8]naphthyridin-5-one.

Molecular Properties

Compound Name4-[(4-methylphenoxy)methyl]-10-phenyl-2H-thiopyrano[2,3-b][1,8]naphthyridin-5-one
PubChem CID24801775
Molecular FormulaC25H20N2O2S
Molecular Weight412.51 g/mol
Exact Mass412.12
IUPAC Name4-[(4-methylphenoxy)methyl]-10-phenyl-2H-thiopyrano[2,3-b][1,8]naphthyridin-5-one
SMILESCc1ccc(OCC2=CCSc3c2c(=O)c2cccnc2n3-c2ccccc2)cc1
InChIInChI=1S/C25H20N2O2S/c1-17-9-11-20(12-10-17)29-16-18-13-15-30-25-22(18)23(28)21-8-5-14-26-24(21)27(25)19-6-3-2-4-7-19/h2-14H,15-16H2,1H3
InChIKeyOYZGIPXVOQIEER-UHFFFAOYSA-N
XLogP5.26
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.51
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylphenoxy)methyl]-10-phenyl-2H-thiopyrano[2,3-b][1,8]naphthyridin-5-one?
The IUPAC name of 4-[(4-methylphenoxy)methyl]-10-phenyl-2H-thiopyrano[2,3-b][1,8]naphthyridin-5-one (CID 24801775) is 4-[(4-methylphenoxy)methyl]-10-phenyl-2H-thiopyrano[2,3-b][1,8]naphthyridin-5-one.
What is the SMILES notation for 4-[(4-methylphenoxy)methyl]-10-phenyl-2H-thiopyrano[2,3-b][1,8]naphthyridin-5-one?
The canonical SMILES for 4-[(4-methylphenoxy)methyl]-10-phenyl-2H-thiopyrano[2,3-b][1,8]naphthyridin-5-one is Cc1ccc(OCC2=CCSc3c2c(=O)c2cccnc2n3-c2ccccc2)cc1.
What is the InChIKey of 4-[(4-methylphenoxy)methyl]-10-phenyl-2H-thiopyrano[2,3-b][1,8]naphthyridin-5-one?
The InChIKey is OYZGIPXVOQIEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O2S/c1-17-9-11-20(12-10-17)29-16-18-13-15-30-25-22(18)23(28)21-8-5-14-26-24(21)27(25)19-6-3-2-4-7-19/h2-14H,15-16H2,1H3.
What are the key properties of 4-[(4-methylphenoxy)methyl]-10-phenyl-2H-thiopyrano[2,3-b][1,8]naphthyridin-5-one?
4-[(4-methylphenoxy)methyl]-10-phenyl-2H-thiopyrano[2,3-b][1,8]naphthyridin-5-one has a molecular weight of 412.51 g/mol, XLogP of 5.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylphenoxy)methyl]-10-phenyl-2H-thiopyrano[2,3-b][1,8]naphthyridin-5-one is sourced from PubChem (CID 24801775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).