2-amino-3-[3-[(4-oxo-5-phenyl-1,3-oxazolidin-2-ylidene)amino]propylamino]naphthalene-1,4-dione

C22H20N4O4 — CID 143765053

IUPAC2-amino-3-[3-[(4-oxo-5-phenyl-1,3-oxazolidin-2-ylidene)amino]propylamino]naphthalene-1,4-dione
SMILESNC1=C(NCCC/N=C2/NC(=O)C(c3ccccc3)O2)C(=O)c2ccccc2C1=O
InChIInChI=1S/C22H20N4O4/c23-16-17(19(28)15-10-5-4-9-14(15)18(16)27)24-11-6-12-25-22-26-21(29)20(30-22)13-7-2-1-3-8-13/h1-5,7-10,20,24H,6,11-12,23H2,(H,25,26,29)
InChIKeyHNSPRTSLDZVXMP-UHFFFAOYSA-N
MW404.43 g/mol
LogP1.46
Rot. Bonds6

About 2-amino-3-[3-[(4-oxo-5-phenyl-1,3-oxazolidin-2-ylidene)amino]propylamino]naphthalene-1,4-dione

2-amino-3-[3-[(4-oxo-5-phenyl-1,3-oxazolidin-2-ylidene)amino]propylamino]naphthalene-1,4-dione (PubChem CID 143765053) has the molecular formula C22H20N4O4 and a molecular weight of 404.43 g/mol. Its IUPAC name is 2-amino-3-[3-[(4-oxo-5-phenyl-1,3-oxazolidin-2-ylidene)amino]propylamino]naphthalene-1,4-dione.

Molecular Properties

Compound Name2-amino-3-[3-[(4-oxo-5-phenyl-1,3-oxazolidin-2-ylidene)amino]propylamino]naphthalene-1,4-dione
PubChem CID143765053
Molecular FormulaC22H20N4O4
Molecular Weight404.43 g/mol
Exact Mass404.15
IUPAC Name2-amino-3-[3-[(4-oxo-5-phenyl-1,3-oxazolidin-2-ylidene)amino]propylamino]naphthalene-1,4-dione
SMILESNC1=C(NCCC/N=C2/NC(=O)C(c3ccccc3)O2)C(=O)c2ccccc2C1=O
InChIInChI=1S/C22H20N4O4/c23-16-17(19(28)15-10-5-4-9-14(15)18(16)27)24-11-6-12-25-22-26-21(29)20(30-22)13-7-2-1-3-8-13/h1-5,7-10,20,24H,6,11-12,23H2,(H,25,26,29)
InChIKeyHNSPRTSLDZVXMP-UHFFFAOYSA-N
XLogP1.46
TPSA122.88 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-amino-3-[3-[(4-oxo-5-phenyl-1,3-oxazolidin-2-ylidene)amino]propylamino]naphthalene-1,4-dione 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 2-amino-3-[3-[(4-oxo-5-phenyl-1,3-oxazolidin-2-ylidene)amino]propylamino]naphthalene-1,4-dione?
The IUPAC name of 2-amino-3-[3-[(4-oxo-5-phenyl-1,3-oxazolidin-2-ylidene)amino]propylamino]naphthalene-1,4-dione (CID 143765053) is 2-amino-3-[3-[(4-oxo-5-phenyl-1,3-oxazolidin-2-ylidene)amino]propylamino]naphthalene-1,4-dione.
What is the SMILES notation for 2-amino-3-[3-[(4-oxo-5-phenyl-1,3-oxazolidin-2-ylidene)amino]propylamino]naphthalene-1,4-dione?
The canonical SMILES for 2-amino-3-[3-[(4-oxo-5-phenyl-1,3-oxazolidin-2-ylidene)amino]propylamino]naphthalene-1,4-dione is NC1=C(NCCC/N=C2/NC(=O)C(c3ccccc3)O2)C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-amino-3-[3-[(4-oxo-5-phenyl-1,3-oxazolidin-2-ylidene)amino]propylamino]naphthalene-1,4-dione?
The InChIKey is HNSPRTSLDZVXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O4/c23-16-17(19(28)15-10-5-4-9-14(15)18(16)27)24-11-6-12-25-22-26-21(29)20(30-22)13-7-2-1-3-8-13/h1-5,7-10,20,24H,6,11-12,23H2,(H,25,26,29).
What are the key properties of 2-amino-3-[3-[(4-oxo-5-phenyl-1,3-oxazolidin-2-ylidene)amino]propylamino]naphthalene-1,4-dione?
2-amino-3-[3-[(4-oxo-5-phenyl-1,3-oxazolidin-2-ylidene)amino]propylamino]naphthalene-1,4-dione has a molecular weight of 404.43 g/mol, XLogP of 1.46, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[3-[(4-oxo-5-phenyl-1,3-oxazolidin-2-ylidene)amino]propylamino]naphthalene-1,4-dione is sourced from PubChem (CID 143765053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).