2-anilino-7-[hydroxy(thiophen-2-yl)methyl]-5-methyl-1-phenyl-1,8-naphthyridin-4-one

C26H21N3O2S — CID 10181691

IUPAC2-anilino-7-[hydroxy(thiophen-2-yl)methyl]-5-methyl-1-phenyl-1,8-naphthyridin-4-one
SMILESCc1cc(C(O)c2cccs2)nc2c1c(=O)cc(Nc1ccccc1)n2-c1ccccc1
InChIInChI=1S/C26H21N3O2S/c1-17-15-20(25(31)22-13-8-14-32-22)28-26-24(17)21(30)16-23(27-18-9-4-2-5-10-18)29(26)19-11-6-3-7-12-19/h2-16,25,27,31H,1H3
InChIKeyRVDUUVKZFTXGEU-UHFFFAOYSA-N
MW439.54 g/mol
LogP5.58
Rot. Bonds5

About 2-anilino-7-[hydroxy(thiophen-2-yl)methyl]-5-methyl-1-phenyl-1,8-naphthyridin-4-one

2-anilino-7-[hydroxy(thiophen-2-yl)methyl]-5-methyl-1-phenyl-1,8-naphthyridin-4-one (PubChem CID 10181691) has the molecular formula C26H21N3O2S and a molecular weight of 439.54 g/mol. Its IUPAC name is 2-anilino-7-[hydroxy(thiophen-2-yl)methyl]-5-methyl-1-phenyl-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name2-anilino-7-[hydroxy(thiophen-2-yl)methyl]-5-methyl-1-phenyl-1,8-naphthyridin-4-one
PubChem CID10181691
Molecular FormulaC26H21N3O2S
Molecular Weight439.54 g/mol
Exact Mass439.14
IUPAC Name2-anilino-7-[hydroxy(thiophen-2-yl)methyl]-5-methyl-1-phenyl-1,8-naphthyridin-4-one
SMILESCc1cc(C(O)c2cccs2)nc2c1c(=O)cc(Nc1ccccc1)n2-c1ccccc1
InChIInChI=1S/C26H21N3O2S/c1-17-15-20(25(31)22-13-8-14-32-22)28-26-24(17)21(30)16-23(27-18-9-4-2-5-10-18)29(26)19-11-6-3-7-12-19/h2-16,25,27,31H,1H3
InChIKeyRVDUUVKZFTXGEU-UHFFFAOYSA-N
XLogP5.58
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.54
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-7-[hydroxy(thiophen-2-yl)methyl]-5-methyl-1-phenyl-1,8-naphthyridin-4-one?
The IUPAC name of 2-anilino-7-[hydroxy(thiophen-2-yl)methyl]-5-methyl-1-phenyl-1,8-naphthyridin-4-one (CID 10181691) is 2-anilino-7-[hydroxy(thiophen-2-yl)methyl]-5-methyl-1-phenyl-1,8-naphthyridin-4-one.
What is the SMILES notation for 2-anilino-7-[hydroxy(thiophen-2-yl)methyl]-5-methyl-1-phenyl-1,8-naphthyridin-4-one?
The canonical SMILES for 2-anilino-7-[hydroxy(thiophen-2-yl)methyl]-5-methyl-1-phenyl-1,8-naphthyridin-4-one is Cc1cc(C(O)c2cccs2)nc2c1c(=O)cc(Nc1ccccc1)n2-c1ccccc1.
What is the InChIKey of 2-anilino-7-[hydroxy(thiophen-2-yl)methyl]-5-methyl-1-phenyl-1,8-naphthyridin-4-one?
The InChIKey is RVDUUVKZFTXGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O2S/c1-17-15-20(25(31)22-13-8-14-32-22)28-26-24(17)21(30)16-23(27-18-9-4-2-5-10-18)29(26)19-11-6-3-7-12-19/h2-16,25,27,31H,1H3.
What are the key properties of 2-anilino-7-[hydroxy(thiophen-2-yl)methyl]-5-methyl-1-phenyl-1,8-naphthyridin-4-one?
2-anilino-7-[hydroxy(thiophen-2-yl)methyl]-5-methyl-1-phenyl-1,8-naphthyridin-4-one has a molecular weight of 439.54 g/mol, XLogP of 5.58, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-7-[hydroxy(thiophen-2-yl)methyl]-5-methyl-1-phenyl-1,8-naphthyridin-4-one is sourced from PubChem (CID 10181691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).