8-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(4-methyl-1,3-thiazol-2-yl)-2H-2,7-naphthyridin-1-one

C24H25N5O2S — CID 58093739

IUPAC8-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(4-methyl-1,3-thiazol-2-yl)-2H-2,7-naphthyridin-1-one
SMILESCc1csc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(OC4CCN(C)CC4)cc3)n2)n1
InChIInChI=1S/C24H25N5O2S/c1-15-14-32-24(26-15)20-13-16-7-10-25-23(30)21(16)22(28-20)27-17-3-5-18(6-4-17)31-19-8-11-29(2)12-9-19/h3-7,10,13-14,19H,8-9,11-12H2,1-2H3,(H,25,30)(H,27,28)
InChIKeyFSGBXOOOKITBSX-UHFFFAOYSA-N
MW447.56 g/mol
LogP4.57
Rot. Bonds5

About 8-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(4-methyl-1,3-thiazol-2-yl)-2H-2,7-naphthyridin-1-one

8-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(4-methyl-1,3-thiazol-2-yl)-2H-2,7-naphthyridin-1-one (PubChem CID 58093739) has the molecular formula C24H25N5O2S and a molecular weight of 447.56 g/mol. Its IUPAC name is 8-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(4-methyl-1,3-thiazol-2-yl)-2H-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name8-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(4-methyl-1,3-thiazol-2-yl)-2H-2,7-naphthyridin-1-one
PubChem CID58093739
Molecular FormulaC24H25N5O2S
Molecular Weight447.56 g/mol
Exact Mass447.17
IUPAC Name8-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(4-methyl-1,3-thiazol-2-yl)-2H-2,7-naphthyridin-1-one
SMILESCc1csc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(OC4CCN(C)CC4)cc3)n2)n1
InChIInChI=1S/C24H25N5O2S/c1-15-14-32-24(26-15)20-13-16-7-10-25-23(30)21(16)22(28-20)27-17-3-5-18(6-4-17)31-19-8-11-29(2)12-9-19/h3-7,10,13-14,19H,8-9,11-12H2,1-2H3,(H,25,30)(H,27,28)
InChIKeyFSGBXOOOKITBSX-UHFFFAOYSA-N
XLogP4.57
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(4-methyl-1,3-thiazol-2-yl)-2H-2,7-naphthyridin-1-one?
The IUPAC name of 8-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(4-methyl-1,3-thiazol-2-yl)-2H-2,7-naphthyridin-1-one (CID 58093739) is 8-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(4-methyl-1,3-thiazol-2-yl)-2H-2,7-naphthyridin-1-one.
What is the SMILES notation for 8-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(4-methyl-1,3-thiazol-2-yl)-2H-2,7-naphthyridin-1-one?
The canonical SMILES for 8-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(4-methyl-1,3-thiazol-2-yl)-2H-2,7-naphthyridin-1-one is Cc1csc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(OC4CCN(C)CC4)cc3)n2)n1.
What is the InChIKey of 8-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(4-methyl-1,3-thiazol-2-yl)-2H-2,7-naphthyridin-1-one?
The InChIKey is FSGBXOOOKITBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2S/c1-15-14-32-24(26-15)20-13-16-7-10-25-23(30)21(16)22(28-20)27-17-3-5-18(6-4-17)31-19-8-11-29(2)12-9-19/h3-7,10,13-14,19H,8-9,11-12H2,1-2H3,(H,25,30)(H,27,28).
What are the key properties of 8-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(4-methyl-1,3-thiazol-2-yl)-2H-2,7-naphthyridin-1-one?
8-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(4-methyl-1,3-thiazol-2-yl)-2H-2,7-naphthyridin-1-one has a molecular weight of 447.56 g/mol, XLogP of 4.57, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(4-methyl-1,3-thiazol-2-yl)-2H-2,7-naphthyridin-1-one is sourced from PubChem (CID 58093739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).