3-[3-[4-(3-methoxyanilino)-5-oxo-7,8-dihydro-6H-1,6-naphthyridin-2-yl]phenyl]benzamide

C28H24N4O3 — CID 53493993

IUPAC3-[3-[4-(3-methoxyanilino)-5-oxo-7,8-dihydro-6H-1,6-naphthyridin-2-yl]phenyl]benzamide
SMILESCOc1cccc(Nc2cc(-c3cccc(-c4cccc(C(N)=O)c4)c3)nc3c2C(=O)NCC3)c1
InChIInChI=1S/C28H24N4O3/c1-35-22-10-4-9-21(15-22)31-25-16-24(32-23-11-12-30-28(34)26(23)25)19-7-2-5-17(13-19)18-6-3-8-20(14-18)27(29)33/h2-10,13-16H,11-12H2,1H3,(H2,29,33)(H,30,34)(H,31,32)
InChIKeyYPXDWSAOSBSOIQ-UHFFFAOYSA-N
MW464.53 g/mol
LogP4.55
Rot. Bonds6

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

3-[3-[4-(3-methoxyanilino)-5-oxo-7,8-dihydro-6H-1,6-naphthyridin-2-yl]phenyl]benzamide (PubChem CID 53493993) has the molecular formula C28H24N4O3 and a molecular weight of 464.53 g/mol. Its IUPAC name is 3-[3-[4-(3-methoxyanilino)-5-oxo-7,8-dihydro-6H-1,6-naphthyridin-2-yl]phenyl]benzamide.

Molecular Properties

Compound Name3-[3-[4-(3-methoxyanilino)-5-oxo-7,8-dihydro-6H-1,6-naphthyridin-2-yl]phenyl]benzamide
PubChem CID53493993
Molecular FormulaC28H24N4O3
Molecular Weight464.53 g/mol
Exact Mass464.18
IUPAC Name3-[3-[4-(3-methoxyanilino)-5-oxo-7,8-dihydro-6H-1,6-naphthyridin-2-yl]phenyl]benzamide
SMILESCOc1cccc(Nc2cc(-c3cccc(-c4cccc(C(N)=O)c4)c3)nc3c2C(=O)NCC3)c1
InChIInChI=1S/C28H24N4O3/c1-35-22-10-4-9-21(15-22)31-25-16-24(32-23-11-12-30-28(34)26(23)25)19-7-2-5-17(13-19)18-6-3-8-20(14-18)27(29)33/h2-10,13-16H,11-12H2,1H3,(H2,29,33)(H,30,34)(H,31,32)
InChIKeyYPXDWSAOSBSOIQ-UHFFFAOYSA-N
XLogP4.55
TPSA106.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.53
LogP ≤ 54.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[3-[4-(3-methoxyanilino)-5-oxo-7,8-dihydro-6H-1,6-naphthyridin-2-yl]phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(3-methoxyanilino)-5-oxo-7,8-dihydro-6H-1,6-naphthyridin-2-yl]phenyl]benzamide?
The IUPAC name of 3-[3-[4-(3-methoxyanilino)-5-oxo-7,8-dihydro-6H-1,6-naphthyridin-2-yl]phenyl]benzamide (CID 53493993) is 3-[3-[4-(3-methoxyanilino)-5-oxo-7,8-dihydro-6H-1,6-naphthyridin-2-yl]phenyl]benzamide.
What is the SMILES notation for 3-[3-[4-(3-methoxyanilino)-5-oxo-7,8-dihydro-6H-1,6-naphthyridin-2-yl]phenyl]benzamide?
The canonical SMILES for 3-[3-[4-(3-methoxyanilino)-5-oxo-7,8-dihydro-6H-1,6-naphthyridin-2-yl]phenyl]benzamide is COc1cccc(Nc2cc(-c3cccc(-c4cccc(C(N)=O)c4)c3)nc3c2C(=O)NCC3)c1.
What is the InChIKey of 3-[3-[4-(3-methoxyanilino)-5-oxo-7,8-dihydro-6H-1,6-naphthyridin-2-yl]phenyl]benzamide?
The InChIKey is YPXDWSAOSBSOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N4O3/c1-35-22-10-4-9-21(15-22)31-25-16-24(32-23-11-12-30-28(34)26(23)25)19-7-2-5-17(13-19)18-6-3-8-20(14-18)27(29)33/h2-10,13-16H,11-12H2,1H3,(H2,29,33)(H,30,34)(H,31,32).
What are the key properties of 3-[3-[4-(3-methoxyanilino)-5-oxo-7,8-dihydro-6H-1,6-naphthyridin-2-yl]phenyl]benzamide?
3-[3-[4-(3-methoxyanilino)-5-oxo-7,8-dihydro-6H-1,6-naphthyridin-2-yl]phenyl]benzamide has a molecular weight of 464.53 g/mol, XLogP of 4.55, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(3-methoxyanilino)-5-oxo-7,8-dihydro-6H-1,6-naphthyridin-2-yl]phenyl]benzamide is sourced from PubChem (CID 53493993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).