N-(2-aminophenyl)-4-[[2-[4-(7-hydroxy-2-oxo-4H-1,3-benzoxazin-3-yl)phenyl]acetyl]amino]benzamide

C29H24N4O5 — CID 177371591

IUPACN-(2-aminophenyl)-4-[[2-[4-(7-hydroxy-2-oxo-4H-1,3-benzoxazin-3-yl)phenyl]acetyl]amino]benzamide
SMILESNc1ccccc1NC(=O)c1ccc(NC(=O)Cc2ccc(N3Cc4ccc(O)cc4OC3=O)cc2)cc1
InChIInChI=1S/C29H24N4O5/c30-24-3-1-2-4-25(24)32-28(36)19-7-10-21(11-8-19)31-27(35)15-18-5-12-22(13-6-18)33-17-20-9-14-23(34)16-26(20)38-29(33)37/h1-14,16,34H,15,17,30H2,(H,31,35)(H,32,36)
InChIKeyPVBPRGHNOXNJHJ-UHFFFAOYSA-N
MW508.53 g/mol
LogP4.93
Rot. Bonds6

About N-(2-aminophenyl)-4-[[2-[4-(7-hydroxy-2-oxo-4H-1,3-benzoxazin-3-yl)phenyl]acetyl]amino]benzamide

N-(2-aminophenyl)-4-[[2-[4-(7-hydroxy-2-oxo-4H-1,3-benzoxazin-3-yl)phenyl]acetyl]amino]benzamide (PubChem CID 177371591) has the molecular formula C29H24N4O5 and a molecular weight of 508.53 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[[2-[4-(7-hydroxy-2-oxo-4H-1,3-benzoxazin-3-yl)phenyl]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[[2-[4-(7-hydroxy-2-oxo-4H-1,3-benzoxazin-3-yl)phenyl]acetyl]amino]benzamide
PubChem CID177371591
Molecular FormulaC29H24N4O5
Molecular Weight508.53 g/mol
Exact Mass508.17
IUPAC NameN-(2-aminophenyl)-4-[[2-[4-(7-hydroxy-2-oxo-4H-1,3-benzoxazin-3-yl)phenyl]acetyl]amino]benzamide
SMILESNc1ccccc1NC(=O)c1ccc(NC(=O)Cc2ccc(N3Cc4ccc(O)cc4OC3=O)cc2)cc1
InChIInChI=1S/C29H24N4O5/c30-24-3-1-2-4-25(24)32-28(36)19-7-10-21(11-8-19)31-27(35)15-18-5-12-22(13-6-18)33-17-20-9-14-23(34)16-26(20)38-29(33)37/h1-14,16,34H,15,17,30H2,(H,31,35)(H,32,36)
InChIKeyPVBPRGHNOXNJHJ-UHFFFAOYSA-N
XLogP4.93
TPSA133.99 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.53
LogP ≤ 54.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-(2-aminophenyl)-4-[[2-[4-(7-hydroxy-2-oxo-4H-1,3-benzoxazin-3-yl)phenyl]acetyl]amino]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 N-(2-aminophenyl)-4-[[2-[4-(7-hydroxy-2-oxo-4H-1,3-benzoxazin-3-yl)phenyl]acetyl]amino]benzamide?
The IUPAC name of N-(2-aminophenyl)-4-[[2-[4-(7-hydroxy-2-oxo-4H-1,3-benzoxazin-3-yl)phenyl]acetyl]amino]benzamide (CID 177371591) is N-(2-aminophenyl)-4-[[2-[4-(7-hydroxy-2-oxo-4H-1,3-benzoxazin-3-yl)phenyl]acetyl]amino]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[[2-[4-(7-hydroxy-2-oxo-4H-1,3-benzoxazin-3-yl)phenyl]acetyl]amino]benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[[2-[4-(7-hydroxy-2-oxo-4H-1,3-benzoxazin-3-yl)phenyl]acetyl]amino]benzamide is Nc1ccccc1NC(=O)c1ccc(NC(=O)Cc2ccc(N3Cc4ccc(O)cc4OC3=O)cc2)cc1.
What is the InChIKey of N-(2-aminophenyl)-4-[[2-[4-(7-hydroxy-2-oxo-4H-1,3-benzoxazin-3-yl)phenyl]acetyl]amino]benzamide?
The InChIKey is PVBPRGHNOXNJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N4O5/c30-24-3-1-2-4-25(24)32-28(36)19-7-10-21(11-8-19)31-27(35)15-18-5-12-22(13-6-18)33-17-20-9-14-23(34)16-26(20)38-29(33)37/h1-14,16,34H,15,17,30H2,(H,31,35)(H,32,36).
What are the key properties of N-(2-aminophenyl)-4-[[2-[4-(7-hydroxy-2-oxo-4H-1,3-benzoxazin-3-yl)phenyl]acetyl]amino]benzamide?
N-(2-aminophenyl)-4-[[2-[4-(7-hydroxy-2-oxo-4H-1,3-benzoxazin-3-yl)phenyl]acetyl]amino]benzamide has a molecular weight of 508.53 g/mol, XLogP of 4.93, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-[[2-[4-(7-hydroxy-2-oxo-4H-1,3-benzoxazin-3-yl)phenyl]acetyl]amino]benzamide is sourced from PubChem (CID 177371591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).