2-cyclohexa-1,5-dien-1-ylsulfinyl-7-methyl-1-phenyl-1,6-naphthyridin-4-one

C21H18N2O2S — CID 142225721

IUPAC2-cyclohexa-1,5-dien-1-ylsulfinyl-7-methyl-1-phenyl-1,6-naphthyridin-4-one
SMILESCc1cc2c(cn1)c(=O)cc(S(=O)C1=CCCC=C1)n2-c1ccccc1
InChIInChI=1S/C21H18N2O2S/c1-15-12-19-18(14-22-15)20(24)13-21(23(19)16-8-4-2-5-9-16)26(25)17-10-6-3-7-11-17/h2,4-6,8-14H,3,7H2,1H3
InChIKeyDYILXFPIIGPALK-UHFFFAOYSA-N
MW362.45 g/mol
LogP4.04
Rot. Bonds3

About 2-cyclohexa-1,5-dien-1-ylsulfinyl-7-methyl-1-phenyl-1,6-naphthyridin-4-one

2-cyclohexa-1,5-dien-1-ylsulfinyl-7-methyl-1-phenyl-1,6-naphthyridin-4-one (PubChem CID 142225721) has the molecular formula C21H18N2O2S and a molecular weight of 362.45 g/mol. Its IUPAC name is 2-cyclohexa-1,5-dien-1-ylsulfinyl-7-methyl-1-phenyl-1,6-naphthyridin-4-one.

Molecular Properties

Compound Name2-cyclohexa-1,5-dien-1-ylsulfinyl-7-methyl-1-phenyl-1,6-naphthyridin-4-one
PubChem CID142225721
Molecular FormulaC21H18N2O2S
Molecular Weight362.45 g/mol
Exact Mass362.11
IUPAC Name2-cyclohexa-1,5-dien-1-ylsulfinyl-7-methyl-1-phenyl-1,6-naphthyridin-4-one
SMILESCc1cc2c(cn1)c(=O)cc(S(=O)C1=CCCC=C1)n2-c1ccccc1
InChIInChI=1S/C21H18N2O2S/c1-15-12-19-18(14-22-15)20(24)13-21(23(19)16-8-4-2-5-9-16)26(25)17-10-6-3-7-11-17/h2,4-6,8-14H,3,7H2,1H3
InChIKeyDYILXFPIIGPALK-UHFFFAOYSA-N
XLogP4.04
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-1,5-dien-1-ylsulfinyl-7-methyl-1-phenyl-1,6-naphthyridin-4-one?
The IUPAC name of 2-cyclohexa-1,5-dien-1-ylsulfinyl-7-methyl-1-phenyl-1,6-naphthyridin-4-one (CID 142225721) is 2-cyclohexa-1,5-dien-1-ylsulfinyl-7-methyl-1-phenyl-1,6-naphthyridin-4-one.
What is the SMILES notation for 2-cyclohexa-1,5-dien-1-ylsulfinyl-7-methyl-1-phenyl-1,6-naphthyridin-4-one?
The canonical SMILES for 2-cyclohexa-1,5-dien-1-ylsulfinyl-7-methyl-1-phenyl-1,6-naphthyridin-4-one is Cc1cc2c(cn1)c(=O)cc(S(=O)C1=CCCC=C1)n2-c1ccccc1.
What is the InChIKey of 2-cyclohexa-1,5-dien-1-ylsulfinyl-7-methyl-1-phenyl-1,6-naphthyridin-4-one?
The InChIKey is DYILXFPIIGPALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2S/c1-15-12-19-18(14-22-15)20(24)13-21(23(19)16-8-4-2-5-9-16)26(25)17-10-6-3-7-11-17/h2,4-6,8-14H,3,7H2,1H3.
What are the key properties of 2-cyclohexa-1,5-dien-1-ylsulfinyl-7-methyl-1-phenyl-1,6-naphthyridin-4-one?
2-cyclohexa-1,5-dien-1-ylsulfinyl-7-methyl-1-phenyl-1,6-naphthyridin-4-one has a molecular weight of 362.45 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-1,5-dien-1-ylsulfinyl-7-methyl-1-phenyl-1,6-naphthyridin-4-one is sourced from PubChem (CID 142225721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).