1-(3,5-dimethoxyphenyl)-5-imino-4-(7-methoxy-1,3-dihydroindol-2-ylidene)pyrrolidin-3-one

C21H21N3O4 — CID 146716552

IUPAC1-(3,5-dimethoxyphenyl)-5-imino-4-(7-methoxy-1,3-dihydroindol-2-ylidene)pyrrolidin-3-one
SMILES[H]/N=C1/C(=C2Cc3cccc(OC)c3N2)C(=O)CN1c1cc(OC)cc(OC)c1
InChIInChI=1S/C21H21N3O4/c1-26-14-8-13(9-15(10-14)27-2)24-11-17(25)19(21(24)22)16-7-12-5-4-6-18(28-3)20(12)23-16/h4-6,8-10,22-23H,7,11H2,1-3H3/b19-16?,22-21-
InChIKeyMTGTYYNPCRQTLO-IDDNPNHKSA-N
MW379.42 g/mol
LogP3.00
Rot. Bonds4

About 1-(3,5-dimethoxyphenyl)-5-imino-4-(7-methoxy-1,3-dihydroindol-2-ylidene)pyrrolidin-3-one

1-(3,5-dimethoxyphenyl)-5-imino-4-(7-methoxy-1,3-dihydroindol-2-ylidene)pyrrolidin-3-one (PubChem CID 146716552) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is 1-(3,5-dimethoxyphenyl)-5-imino-4-(7-methoxy-1,3-dihydroindol-2-ylidene)pyrrolidin-3-one.

Molecular Properties

Compound Name1-(3,5-dimethoxyphenyl)-5-imino-4-(7-methoxy-1,3-dihydroindol-2-ylidene)pyrrolidin-3-one
PubChem CID146716552
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC Name1-(3,5-dimethoxyphenyl)-5-imino-4-(7-methoxy-1,3-dihydroindol-2-ylidene)pyrrolidin-3-one
SMILES[H]/N=C1/C(=C2Cc3cccc(OC)c3N2)C(=O)CN1c1cc(OC)cc(OC)c1
InChIInChI=1S/C21H21N3O4/c1-26-14-8-13(9-15(10-14)27-2)24-11-17(25)19(21(24)22)16-7-12-5-4-6-18(28-3)20(12)23-16/h4-6,8-10,22-23H,7,11H2,1-3H3/b19-16?,22-21-
InChIKeyMTGTYYNPCRQTLO-IDDNPNHKSA-N
XLogP3.00
TPSA83.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1-(3,5-dimethoxyphenyl)-5-imino-4-(7-methoxy-1,3-dihydroindol-2-ylidene)pyrrolidin-3-one 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 1-(3,5-dimethoxyphenyl)-5-imino-4-(7-methoxy-1,3-dihydroindol-2-ylidene)pyrrolidin-3-one?
The IUPAC name of 1-(3,5-dimethoxyphenyl)-5-imino-4-(7-methoxy-1,3-dihydroindol-2-ylidene)pyrrolidin-3-one (CID 146716552) is 1-(3,5-dimethoxyphenyl)-5-imino-4-(7-methoxy-1,3-dihydroindol-2-ylidene)pyrrolidin-3-one.
What is the SMILES notation for 1-(3,5-dimethoxyphenyl)-5-imino-4-(7-methoxy-1,3-dihydroindol-2-ylidene)pyrrolidin-3-one?
The canonical SMILES for 1-(3,5-dimethoxyphenyl)-5-imino-4-(7-methoxy-1,3-dihydroindol-2-ylidene)pyrrolidin-3-one is [H]/N=C1/C(=C2Cc3cccc(OC)c3N2)C(=O)CN1c1cc(OC)cc(OC)c1.
What is the InChIKey of 1-(3,5-dimethoxyphenyl)-5-imino-4-(7-methoxy-1,3-dihydroindol-2-ylidene)pyrrolidin-3-one?
The InChIKey is MTGTYYNPCRQTLO-IDDNPNHKSA-N. The full InChI is InChI=1S/C21H21N3O4/c1-26-14-8-13(9-15(10-14)27-2)24-11-17(25)19(21(24)22)16-7-12-5-4-6-18(28-3)20(12)23-16/h4-6,8-10,22-23H,7,11H2,1-3H3/b19-16?,22-21-.
What are the key properties of 1-(3,5-dimethoxyphenyl)-5-imino-4-(7-methoxy-1,3-dihydroindol-2-ylidene)pyrrolidin-3-one?
1-(3,5-dimethoxyphenyl)-5-imino-4-(7-methoxy-1,3-dihydroindol-2-ylidene)pyrrolidin-3-one has a molecular weight of 379.42 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxyphenyl)-5-imino-4-(7-methoxy-1,3-dihydroindol-2-ylidene)pyrrolidin-3-one is sourced from PubChem (CID 146716552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).