4-[4-(2-hydroxyethyl)anilino]-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one

C22H21N3O2 — CID 53493859

IUPAC4-[4-(2-hydroxyethyl)anilino]-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one
SMILESO=C1NCCc2nc(-c3ccccc3)cc(Nc3ccc(CCO)cc3)c21
InChIInChI=1S/C22H21N3O2/c26-13-11-15-6-8-17(9-7-15)24-20-14-19(16-4-2-1-3-5-16)25-18-10-12-23-22(27)21(18)20/h1-9,14,26H,10-13H2,(H,23,27)(H,24,25)
InChIKeyZIIWMNMTPCAXMA-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.31
Rot. Bonds5

About 4-[4-(2-hydroxyethyl)anilino]-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one

4-[4-(2-hydroxyethyl)anilino]-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one (PubChem CID 53493859) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 4-[4-(2-hydroxyethyl)anilino]-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name4-[4-(2-hydroxyethyl)anilino]-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one
PubChem CID53493859
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name4-[4-(2-hydroxyethyl)anilino]-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one
SMILESO=C1NCCc2nc(-c3ccccc3)cc(Nc3ccc(CCO)cc3)c21
InChIInChI=1S/C22H21N3O2/c26-13-11-15-6-8-17(9-7-15)24-20-14-19(16-4-2-1-3-5-16)25-18-10-12-23-22(27)21(18)20/h1-9,14,26H,10-13H2,(H,23,27)(H,24,25)
InChIKeyZIIWMNMTPCAXMA-UHFFFAOYSA-N
XLogP3.31
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-hydroxyethyl)anilino]-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one?
The IUPAC name of 4-[4-(2-hydroxyethyl)anilino]-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one (CID 53493859) is 4-[4-(2-hydroxyethyl)anilino]-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one.
What is the SMILES notation for 4-[4-(2-hydroxyethyl)anilino]-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one?
The canonical SMILES for 4-[4-(2-hydroxyethyl)anilino]-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one is O=C1NCCc2nc(-c3ccccc3)cc(Nc3ccc(CCO)cc3)c21.
What is the InChIKey of 4-[4-(2-hydroxyethyl)anilino]-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one?
The InChIKey is ZIIWMNMTPCAXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c26-13-11-15-6-8-17(9-7-15)24-20-14-19(16-4-2-1-3-5-16)25-18-10-12-23-22(27)21(18)20/h1-9,14,26H,10-13H2,(H,23,27)(H,24,25).
What are the key properties of 4-[4-(2-hydroxyethyl)anilino]-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one?
4-[4-(2-hydroxyethyl)anilino]-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one has a molecular weight of 359.43 g/mol, XLogP of 3.31, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-hydroxyethyl)anilino]-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one is sourced from PubChem (CID 53493859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).