4-Amino-N-phenyl-1,8-naphthalimide

C18H12N2O2 — CID 202512

IUPAC6-amino-2-phenylbenzo[de]isoquinoline-1,3-dione
SMILESC1=CC=C(C=C1)N2C(=O)C3=C4C(=C(C=C3)N)C=CC=C4C2=O
InChIInChI=1S/C18H12N2O2/c19-15-10-9-14-16-12(15)7-4-8-13(16)17(21)20(18(14)22)11-5-2-1-3-6-11/h1-10H,19H2
InChIKeyHRQSPGSEYDLAIM-UHFFFAOYSA-N
MW288.30 g/mol
LogP3.00
Rot. Bonds1

About 4-Amino-N-phenyl-1,8-naphthalimide

4-Amino-N-phenyl-1,8-naphthalimide (PubChem CID 202512) has the molecular formula C18H12N2O2 and a molecular weight of 288.30 g/mol. Its IUPAC name is 6-amino-2-phenylbenzo[de]isoquinoline-1,3-dione.

Molecular Properties

Compound Name4-Amino-N-phenyl-1,8-naphthalimide
PubChem CID202512
Molecular FormulaC18H12N2O2
Molecular Weight288.30 g/mol
Exact Mass288.09
IUPAC Name6-amino-2-phenylbenzo[de]isoquinoline-1,3-dione
SMILESC1=CC=C(C=C1)N2C(=O)C3=C4C(=C(C=C3)N)C=CC=C4C2=O
InChIInChI=1S/C18H12N2O2/c19-15-10-9-14-16-12(15)7-4-8-13(16)17(21)20(18(14)22)11-5-2-1-3-6-11/h1-10H,19H2
InChIKeyHRQSPGSEYDLAIM-UHFFFAOYSA-N
XLogP3.00
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity472

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-Amino-N-phenyl-1,8-naphthalimide?
The IUPAC name of 4-Amino-N-phenyl-1,8-naphthalimide (CID 202512) is 6-amino-2-phenylbenzo[de]isoquinoline-1,3-dione.
What is the SMILES notation for 4-Amino-N-phenyl-1,8-naphthalimide?
The canonical SMILES for 4-Amino-N-phenyl-1,8-naphthalimide is C1=CC=C(C=C1)N2C(=O)C3=C4C(=C(C=C3)N)C=CC=C4C2=O.
What is the InChIKey of 4-Amino-N-phenyl-1,8-naphthalimide?
The InChIKey is HRQSPGSEYDLAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O2/c19-15-10-9-14-16-12(15)7-4-8-13(16)17(21)20(18(14)22)11-5-2-1-3-6-11/h1-10H,19H2.
What are the key properties of 4-Amino-N-phenyl-1,8-naphthalimide?
4-Amino-N-phenyl-1,8-naphthalimide has a molecular weight of 288.30 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-Amino-N-phenyl-1,8-naphthalimide is sourced from PubChem (CID 202512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).