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

C27H23N3O3 — CID 53494121

IUPAC2-[3-(3-hydroxyphenyl)phenyl]-4-(3-methoxyanilino)-7,8-dihydro-6H-1,6-naphthyridin-5-one
SMILESCOc1cccc(Nc2cc(-c3cccc(-c4cccc(O)c4)c3)nc3c2C(=O)NCC3)c1
InChIInChI=1S/C27H23N3O3/c1-33-22-10-4-8-20(15-22)29-25-16-24(30-23-11-12-28-27(32)26(23)25)19-7-2-5-17(13-19)18-6-3-9-21(31)14-18/h2-10,13-16,31H,11-12H2,1H3,(H,28,32)(H,29,30)
InChIKeyVDSBLZPDLPBYLM-UHFFFAOYSA-N
MW437.50 g/mol
LogP5.16
Rot. Bonds5

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

2-[3-(3-hydroxyphenyl)phenyl]-4-(3-methoxyanilino)-7,8-dihydro-6H-1,6-naphthyridin-5-one (PubChem CID 53494121) has the molecular formula C27H23N3O3 and a molecular weight of 437.50 g/mol. Its IUPAC name is 2-[3-(3-hydroxyphenyl)phenyl]-4-(3-methoxyanilino)-7,8-dihydro-6H-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name2-[3-(3-hydroxyphenyl)phenyl]-4-(3-methoxyanilino)-7,8-dihydro-6H-1,6-naphthyridin-5-one
PubChem CID53494121
Molecular FormulaC27H23N3O3
Molecular Weight437.50 g/mol
Exact Mass437.17
IUPAC Name2-[3-(3-hydroxyphenyl)phenyl]-4-(3-methoxyanilino)-7,8-dihydro-6H-1,6-naphthyridin-5-one
SMILESCOc1cccc(Nc2cc(-c3cccc(-c4cccc(O)c4)c3)nc3c2C(=O)NCC3)c1
InChIInChI=1S/C27H23N3O3/c1-33-22-10-4-8-20(15-22)29-25-16-24(30-23-11-12-28-27(32)26(23)25)19-7-2-5-17(13-19)18-6-3-9-21(31)14-18/h2-10,13-16,31H,11-12H2,1H3,(H,28,32)(H,29,30)
InChIKeyVDSBLZPDLPBYLM-UHFFFAOYSA-N
XLogP5.16
TPSA83.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.50
LogP ≤ 55.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-hydroxyphenyl)phenyl]-4-(3-methoxyanilino)-7,8-dihydro-6H-1,6-naphthyridin-5-one?
The IUPAC name of 2-[3-(3-hydroxyphenyl)phenyl]-4-(3-methoxyanilino)-7,8-dihydro-6H-1,6-naphthyridin-5-one (CID 53494121) is 2-[3-(3-hydroxyphenyl)phenyl]-4-(3-methoxyanilino)-7,8-dihydro-6H-1,6-naphthyridin-5-one.
What is the SMILES notation for 2-[3-(3-hydroxyphenyl)phenyl]-4-(3-methoxyanilino)-7,8-dihydro-6H-1,6-naphthyridin-5-one?
The canonical SMILES for 2-[3-(3-hydroxyphenyl)phenyl]-4-(3-methoxyanilino)-7,8-dihydro-6H-1,6-naphthyridin-5-one is COc1cccc(Nc2cc(-c3cccc(-c4cccc(O)c4)c3)nc3c2C(=O)NCC3)c1.
What is the InChIKey of 2-[3-(3-hydroxyphenyl)phenyl]-4-(3-methoxyanilino)-7,8-dihydro-6H-1,6-naphthyridin-5-one?
The InChIKey is VDSBLZPDLPBYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3O3/c1-33-22-10-4-8-20(15-22)29-25-16-24(30-23-11-12-28-27(32)26(23)25)19-7-2-5-17(13-19)18-6-3-9-21(31)14-18/h2-10,13-16,31H,11-12H2,1H3,(H,28,32)(H,29,30).
What are the key properties of 2-[3-(3-hydroxyphenyl)phenyl]-4-(3-methoxyanilino)-7,8-dihydro-6H-1,6-naphthyridin-5-one?
2-[3-(3-hydroxyphenyl)phenyl]-4-(3-methoxyanilino)-7,8-dihydro-6H-1,6-naphthyridin-5-one has a molecular weight of 437.50 g/mol, XLogP of 5.16, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-hydroxyphenyl)phenyl]-4-(3-methoxyanilino)-7,8-dihydro-6H-1,6-naphthyridin-5-one is sourced from PubChem (CID 53494121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).