5-(3-aminoanilino)-2-methylisoindole-1,3-dione

C15H13N3O2 — CID 43132787

IUPAC5-(3-aminoanilino)-2-methylisoindole-1,3-dione
SMILESCN1C(=O)c2ccc(Nc3cccc(N)c3)cc2C1=O
InChIInChI=1S/C15H13N3O2/c1-18-14(19)12-6-5-11(8-13(12)15(18)20)17-10-4-2-3-9(16)7-10/h2-8,17H,16H2,1H3
InChIKeyGHKAQEBWYWDHBB-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.24
Rot. Bonds2

About 5-(3-aminoanilino)-2-methylisoindole-1,3-dione

5-(3-aminoanilino)-2-methylisoindole-1,3-dione (PubChem CID 43132787) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 5-(3-aminoanilino)-2-methylisoindole-1,3-dione.

Molecular Properties

Compound Name5-(3-aminoanilino)-2-methylisoindole-1,3-dione
PubChem CID43132787
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name5-(3-aminoanilino)-2-methylisoindole-1,3-dione
SMILESCN1C(=O)c2ccc(Nc3cccc(N)c3)cc2C1=O
InChIInChI=1S/C15H13N3O2/c1-18-14(19)12-6-5-11(8-13(12)15(18)20)17-10-4-2-3-9(16)7-10/h2-8,17H,16H2,1H3
InChIKeyGHKAQEBWYWDHBB-UHFFFAOYSA-N
XLogP2.24
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[(5-aminopyrimidin-4-yl)amino]-2-methylisoindole-1,3-dione
CID 79917877
5-[(2-amino-5-bromopyrimidin-4-yl)amino]-2-methylisoindole-1,3-dione
CID 80749350
5-(2-amino-4-iodoanilino)-2-methylisoindole-1,3-dione
CID 66066254
3-N-[4-(methylamino)phenyl]benzene-1,3-diamine
CID 122513645
2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]benzonitrile
CID 28601545
2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]pyridine-3-carbonitrile
CID 24693520
5-[(3-bromo-5-methyl-2-pyridinyl)amino]-2-methylisoindole-1,3-dione
CID 105367590
N-(4-anilinophenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 46554436
5-[(2,5-dichloropyrimidin-4-yl)amino]-2-methylisoindole-1,3-dione
CID 79639322
4-amino-N-(2-methyl-1,3-dioxoisoindol-5-yl)-1H-pyrrole-2-carboxamide
CID 43642778
5-[(5-bromo-3-chloro-2-pyridinyl)amino]-2-methylisoindole-1,3-dione
CID 103583037
5-[(3-bromo-5-chloro-2-pyridinyl)amino]-2-methylisoindole-1,3-dione
CID 114836563

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoanilino)-2-methylisoindole-1,3-dione?
The IUPAC name of 5-(3-aminoanilino)-2-methylisoindole-1,3-dione (CID 43132787) is 5-(3-aminoanilino)-2-methylisoindole-1,3-dione.
What is the SMILES notation for 5-(3-aminoanilino)-2-methylisoindole-1,3-dione?
The canonical SMILES for 5-(3-aminoanilino)-2-methylisoindole-1,3-dione is CN1C(=O)c2ccc(Nc3cccc(N)c3)cc2C1=O.
What is the InChIKey of 5-(3-aminoanilino)-2-methylisoindole-1,3-dione?
The InChIKey is GHKAQEBWYWDHBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-18-14(19)12-6-5-11(8-13(12)15(18)20)17-10-4-2-3-9(16)7-10/h2-8,17H,16H2,1H3.
What are the key properties of 5-(3-aminoanilino)-2-methylisoindole-1,3-dione?
5-(3-aminoanilino)-2-methylisoindole-1,3-dione has a molecular weight of 267.29 g/mol, XLogP of 2.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminoanilino)-2-methylisoindole-1,3-dione is sourced from PubChem (CID 43132787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).