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

C22H21N3O2 — CID 53494799

IUPAC4-(3-methoxyanilino)-8-methyl-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one
SMILESCOc1cccc(Nc2cc(-c3ccccc3)nc3c2C(=O)NCC3C)c1
InChIInChI=1S/C22H21N3O2/c1-14-13-23-22(26)20-19(24-16-9-6-10-17(11-16)27-2)12-18(25-21(14)20)15-7-4-3-5-8-15/h3-12,14H,13H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyIXEZIIQLWDZTPK-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.35
Rot. Bonds4

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

4-(3-methoxyanilino)-8-methyl-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one (PubChem CID 53494799) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 4-(3-methoxyanilino)-8-methyl-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name4-(3-methoxyanilino)-8-methyl-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one
PubChem CID53494799
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name4-(3-methoxyanilino)-8-methyl-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one
SMILESCOc1cccc(Nc2cc(-c3ccccc3)nc3c2C(=O)NCC3C)c1
InChIInChI=1S/C22H21N3O2/c1-14-13-23-22(26)20-19(24-16-9-6-10-17(11-16)27-2)12-18(25-21(14)20)15-7-4-3-5-8-15/h3-12,14H,13H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyIXEZIIQLWDZTPK-UHFFFAOYSA-N
XLogP4.35
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyanilino)-8-methyl-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one?
The IUPAC name of 4-(3-methoxyanilino)-8-methyl-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one (CID 53494799) is 4-(3-methoxyanilino)-8-methyl-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one.
What is the SMILES notation for 4-(3-methoxyanilino)-8-methyl-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one?
The canonical SMILES for 4-(3-methoxyanilino)-8-methyl-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one is COc1cccc(Nc2cc(-c3ccccc3)nc3c2C(=O)NCC3C)c1.
What is the InChIKey of 4-(3-methoxyanilino)-8-methyl-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one?
The InChIKey is IXEZIIQLWDZTPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-14-13-23-22(26)20-19(24-16-9-6-10-17(11-16)27-2)12-18(25-21(14)20)15-7-4-3-5-8-15/h3-12,14H,13H2,1-2H3,(H,23,26)(H,24,25).
What are the key properties of 4-(3-methoxyanilino)-8-methyl-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one?
4-(3-methoxyanilino)-8-methyl-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one has a molecular weight of 359.43 g/mol, XLogP of 4.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyanilino)-8-methyl-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one is sourced from PubChem (CID 53494799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).