3-[(3,4-dimethoxyphenyl)methylideneamino]-4-(5-methoxy-1H-indol-3-yl)pyrrole-2,5-dione

C22H19N3O5 — CID 10573330

IUPAC3-[(3,4-dimethoxyphenyl)methylideneamino]-4-(5-methoxy-1H-indol-3-yl)pyrrole-2,5-dione
SMILESCOc1ccc2[nH]cc(C3=C(/N=C/c4ccc(OC)c(OC)c4)C(=O)NC3=O)c2c1
InChIInChI=1S/C22H19N3O5/c1-28-13-5-6-16-14(9-13)15(11-23-16)19-20(22(27)25-21(19)26)24-10-12-4-7-17(29-2)18(8-12)30-3/h4-11,23H,1-3H3,(H,25,26,27)/b24-10+
InChIKeyDEDPHNBULYHQDR-YSURURNPSA-N
MW405.41 g/mol
LogP2.68
Rot. Bonds6

About 3-[(3,4-dimethoxyphenyl)methylideneamino]-4-(5-methoxy-1H-indol-3-yl)pyrrole-2,5-dione

3-[(3,4-dimethoxyphenyl)methylideneamino]-4-(5-methoxy-1H-indol-3-yl)pyrrole-2,5-dione (PubChem CID 10573330) has the molecular formula C22H19N3O5 and a molecular weight of 405.41 g/mol. Its IUPAC name is 3-[(3,4-dimethoxyphenyl)methylideneamino]-4-(5-methoxy-1H-indol-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-[(3,4-dimethoxyphenyl)methylideneamino]-4-(5-methoxy-1H-indol-3-yl)pyrrole-2,5-dione
PubChem CID10573330
Molecular FormulaC22H19N3O5
Molecular Weight405.41 g/mol
Exact Mass405.13
IUPAC Name3-[(3,4-dimethoxyphenyl)methylideneamino]-4-(5-methoxy-1H-indol-3-yl)pyrrole-2,5-dione
SMILESCOc1ccc2[nH]cc(C3=C(/N=C/c4ccc(OC)c(OC)c4)C(=O)NC3=O)c2c1
InChIInChI=1S/C22H19N3O5/c1-28-13-5-6-16-14(9-13)15(11-23-16)19-20(22(27)25-21(19)26)24-10-12-4-7-17(29-2)18(8-12)30-3/h4-11,23H,1-3H3,(H,25,26,27)/b24-10+
InChIKeyDEDPHNBULYHQDR-YSURURNPSA-N
XLogP2.68
TPSA102.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.41
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-[(3,4-dimethoxyphenyl)methylideneamino]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 10547472
3-(6-chloro-1H-indol-3-yl)-4-(5-methoxy-1H-indol-3-yl)pyrrole-2,5-dione
CID 22308775
3-(3,4-dimethoxyphenyl)sulfonyl-6-methoxy-1H-quinolin-4-one
CID 22425109
3-(1H-indol-3-yl)-4-(5-methoxy-1-benzofuran-3-yl)pyrrole-2,5-dione
CID 163360683
3-azido-4-(5-methoxy-1H-indol-3-yl)-1-methylpyrrole-2,5-dione
CID 10661694
3,4-bis(5-methyl-1H-indol-3-yl)pyrrole-2,5-dione
CID 22410468
3-chloro-4-(5-methoxy-1H-indol-3-yl)cyclobut-3-ene-1,2-dione
CID 126480665
3-(1H-indol-3-yl)-4-[5-methoxy-1-[3-(methylamino)propyl]indol-3-yl]pyrrole-2,5-dione
CID 22410625
3-(1H-indol-3-yl)-4-[5-methoxy-1-(3-piperidin-1-ylpropyl)indol-3-yl]pyrrole-2,5-dione
CID 15106759
2-(5-methoxy-1H-indol-3-yl)benzaldehyde
CID 45485466
3-(5-methoxy-1H-indol-3-yl)-1-methyl-4-(1H-pyrrol-2-yl)pyrrole-2,5-dione
CID 23650713
3-chloro-4-(5-phenylmethoxy-1H-indol-3-yl)pyrrole-2,5-dione
CID 22308770

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethoxyphenyl)methylideneamino]-4-(5-methoxy-1H-indol-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-[(3,4-dimethoxyphenyl)methylideneamino]-4-(5-methoxy-1H-indol-3-yl)pyrrole-2,5-dione (CID 10573330) is 3-[(3,4-dimethoxyphenyl)methylideneamino]-4-(5-methoxy-1H-indol-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-[(3,4-dimethoxyphenyl)methylideneamino]-4-(5-methoxy-1H-indol-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-[(3,4-dimethoxyphenyl)methylideneamino]-4-(5-methoxy-1H-indol-3-yl)pyrrole-2,5-dione is COc1ccc2[nH]cc(C3=C(/N=C/c4ccc(OC)c(OC)c4)C(=O)NC3=O)c2c1.
What is the InChIKey of 3-[(3,4-dimethoxyphenyl)methylideneamino]-4-(5-methoxy-1H-indol-3-yl)pyrrole-2,5-dione?
The InChIKey is DEDPHNBULYHQDR-YSURURNPSA-N. The full InChI is InChI=1S/C22H19N3O5/c1-28-13-5-6-16-14(9-13)15(11-23-16)19-20(22(27)25-21(19)26)24-10-12-4-7-17(29-2)18(8-12)30-3/h4-11,23H,1-3H3,(H,25,26,27)/b24-10+.
What are the key properties of 3-[(3,4-dimethoxyphenyl)methylideneamino]-4-(5-methoxy-1H-indol-3-yl)pyrrole-2,5-dione?
3-[(3,4-dimethoxyphenyl)methylideneamino]-4-(5-methoxy-1H-indol-3-yl)pyrrole-2,5-dione has a molecular weight of 405.41 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dimethoxyphenyl)methylideneamino]-4-(5-methoxy-1H-indol-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 10573330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).