4-(3-methoxyanilino)-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one

C21H19N3O2 — CID 53493858

IUPAC4-(3-methoxyanilino)-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one
SMILESCOc1cccc(Nc2cc(-c3ccccc3)nc3c2C(=O)NCC3)c1
InChIInChI=1S/C21H19N3O2/c1-26-16-9-5-8-15(12-16)23-19-13-18(14-6-3-2-4-7-14)24-17-10-11-22-21(25)20(17)19/h2-9,12-13H,10-11H2,1H3,(H,22,25)(H,23,24)
InChIKeyPBJZBHKLXZKPND-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.79
Rot. Bonds4

About 4-(3-methoxyanilino)-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one

4-(3-methoxyanilino)-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one (PubChem CID 53493858) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is 4-(3-methoxyanilino)-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name4-(3-methoxyanilino)-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one
PubChem CID53493858
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC Name4-(3-methoxyanilino)-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one
SMILESCOc1cccc(Nc2cc(-c3ccccc3)nc3c2C(=O)NCC3)c1
InChIInChI=1S/C21H19N3O2/c1-26-16-9-5-8-15(12-16)23-19-13-18(14-6-3-2-4-7-14)24-17-10-11-22-21(25)20(17)19/h2-9,12-13H,10-11H2,1H3,(H,22,25)(H,23,24)
InChIKeyPBJZBHKLXZKPND-UHFFFAOYSA-N
XLogP3.79
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyanilino)-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one?
The IUPAC name of 4-(3-methoxyanilino)-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one (CID 53493858) is 4-(3-methoxyanilino)-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one.
What is the SMILES notation for 4-(3-methoxyanilino)-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one?
The canonical SMILES for 4-(3-methoxyanilino)-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one is COc1cccc(Nc2cc(-c3ccccc3)nc3c2C(=O)NCC3)c1.
What is the InChIKey of 4-(3-methoxyanilino)-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one?
The InChIKey is PBJZBHKLXZKPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c1-26-16-9-5-8-15(12-16)23-19-13-18(14-6-3-2-4-7-14)24-17-10-11-22-21(25)20(17)19/h2-9,12-13H,10-11H2,1H3,(H,22,25)(H,23,24).
What are the key properties of 4-(3-methoxyanilino)-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one?
4-(3-methoxyanilino)-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one has a molecular weight of 345.40 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyanilino)-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one is sourced from PubChem (CID 53493858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).