3-(3-aminophenyl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione

C19H15N3O2 — CID 5327711

IUPAC3-(3-aminophenyl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione
SMILESCn1cc(C2=C(c3cccc(N)c3)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C19H15N3O2/c1-22-10-14(13-7-2-3-8-15(13)22)17-16(18(23)21-19(17)24)11-5-4-6-12(20)9-11/h2-10H,20H2,1H3,(H,21,23,24)
InChIKeyRGTAEYDIDMGJLX-UHFFFAOYSA-N
MW317.35 g/mol
LogP2.33
Rot. Bonds2

About 3-(3-aminophenyl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione

3-(3-aminophenyl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione (PubChem CID 5327711) has the molecular formula C19H15N3O2 and a molecular weight of 317.35 g/mol. Its IUPAC name is 3-(3-aminophenyl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(3-aminophenyl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione
PubChem CID5327711
Molecular FormulaC19H15N3O2
Molecular Weight317.35 g/mol
Exact Mass317.12
IUPAC Name3-(3-aminophenyl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione
SMILESCn1cc(C2=C(c3cccc(N)c3)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C19H15N3O2/c1-22-10-14(13-7-2-3-8-15(13)22)17-16(18(23)21-19(17)24)11-5-4-6-12(20)9-11/h2-10H,20H2,1H3,(H,21,23,24)
InChIKeyRGTAEYDIDMGJLX-UHFFFAOYSA-N
XLogP2.33
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.33
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

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CID 33625
Enzastaurin
CID 176167
Tivantinib
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Ruboxistaurin
CID 153999
3-(1-(3-(Dimethylamino)propyl)-1H-indol-3-yl)-4-(1H-indol-3-yl)-1H-pyrrole-2,5-dione
CID 2396
Indole-3-acetamide
CID 397
SB 216763
CID 176158
1H-pyrrole-2,5-dione, 3-(1-methyl-1H-indol-3-yl)-4-(1-methyl-6-nitro-1H-indol-3-yl)-
CID 5327686
Bisindolylmaleimide VIII
CID 2403
Pf-06840003
CID 23063810
Indoramin hydrochloride
CID 38102
N-(20-Amino-4-hydroxy-4,8,12,17-tetraazaeicos-1-yl)-1H-indole-3-acetamide
CID 131007

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenyl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-(3-aminophenyl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione (CID 5327711) is 3-(3-aminophenyl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(3-aminophenyl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-(3-aminophenyl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione is Cn1cc(C2=C(c3cccc(N)c3)C(=O)NC2=O)c2ccccc21.
What is the InChIKey of 3-(3-aminophenyl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
The InChIKey is RGTAEYDIDMGJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2/c1-22-10-14(13-7-2-3-8-15(13)22)17-16(18(23)21-19(17)24)11-5-4-6-12(20)9-11/h2-10H,20H2,1H3,(H,21,23,24).
What are the key properties of 3-(3-aminophenyl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
3-(3-aminophenyl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione has a molecular weight of 317.35 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenyl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 5327711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).