6-(3-methylsulfonylphenyl)-8-(3-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one

C25H24N4O4S — CID 66888045

IUPAC6-(3-methylsulfonylphenyl)-8-(3-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
SMILESCS(=O)(=O)c1cccc(-c2cc3cc[nH]c(=O)c3c(Nc3cccc(N4CCOCC4)c3)n2)c1
InChIInChI=1S/C25H24N4O4S/c1-34(31,32)21-7-2-4-17(14-21)22-15-18-8-9-26-25(30)23(18)24(28-22)27-19-5-3-6-20(16-19)29-10-12-33-13-11-29/h2-9,14-16H,10-13H2,1H3,(H,26,30)(H,27,28)
InChIKeyMSOXWTVIOGZHGK-UHFFFAOYSA-N
MW476.56 g/mol
LogP3.57
Rot. Bonds5

About 6-(3-methylsulfonylphenyl)-8-(3-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one

6-(3-methylsulfonylphenyl)-8-(3-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one (PubChem CID 66888045) has the molecular formula C25H24N4O4S and a molecular weight of 476.56 g/mol. Its IUPAC name is 6-(3-methylsulfonylphenyl)-8-(3-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name6-(3-methylsulfonylphenyl)-8-(3-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
PubChem CID66888045
Molecular FormulaC25H24N4O4S
Molecular Weight476.56 g/mol
Exact Mass476.15
IUPAC Name6-(3-methylsulfonylphenyl)-8-(3-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
SMILESCS(=O)(=O)c1cccc(-c2cc3cc[nH]c(=O)c3c(Nc3cccc(N4CCOCC4)c3)n2)c1
InChIInChI=1S/C25H24N4O4S/c1-34(31,32)21-7-2-4-17(14-21)22-15-18-8-9-26-25(30)23(18)24(28-22)27-19-5-3-6-20(16-19)29-10-12-33-13-11-29/h2-9,14-16H,10-13H2,1H3,(H,26,30)(H,27,28)
InChIKeyMSOXWTVIOGZHGK-UHFFFAOYSA-N
XLogP3.57
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.56
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-(1-methylpyrazol-3-yl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 66887661
6-(6-fluoro-3-pyridinyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 58093889
6-(2-amino-6-methylpyrimidin-4-yl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 58093783
6-(2-methyl-3-methylsulfinylphenyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 58093617
6-(6-butyl-2-pyridinyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 58093812
6-(3,6-dihydro-2H-pyran-4-yl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 58166613
6-(2-aminopyrimidin-5-yl)-8-(3-methyl-4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 58094223
6-(3-aminosulfanyl-4-methoxyphenyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 143841233
6-chloro-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 86649544
6-(4-methyl-3-pyridinyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 58094050
N-methyl-3-[(8-oxo-3-pyrimidin-5-yl-7H-2,7-naphthyridin-1-yl)amino]benzenesulfonamide
CID 58094203
6-(2,3-dimethylanilino)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one;methanamine
CID 143841410

Frequently Asked Questions

What is the IUPAC name of 6-(3-methylsulfonylphenyl)-8-(3-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one?
The IUPAC name of 6-(3-methylsulfonylphenyl)-8-(3-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one (CID 66888045) is 6-(3-methylsulfonylphenyl)-8-(3-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one.
What is the SMILES notation for 6-(3-methylsulfonylphenyl)-8-(3-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one?
The canonical SMILES for 6-(3-methylsulfonylphenyl)-8-(3-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one is CS(=O)(=O)c1cccc(-c2cc3cc[nH]c(=O)c3c(Nc3cccc(N4CCOCC4)c3)n2)c1.
What is the InChIKey of 6-(3-methylsulfonylphenyl)-8-(3-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one?
The InChIKey is MSOXWTVIOGZHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O4S/c1-34(31,32)21-7-2-4-17(14-21)22-15-18-8-9-26-25(30)23(18)24(28-22)27-19-5-3-6-20(16-19)29-10-12-33-13-11-29/h2-9,14-16H,10-13H2,1H3,(H,26,30)(H,27,28).
What are the key properties of 6-(3-methylsulfonylphenyl)-8-(3-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one?
6-(3-methylsulfonylphenyl)-8-(3-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one has a molecular weight of 476.56 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylsulfonylphenyl)-8-(3-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one is sourced from PubChem (CID 66888045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).