(3Z)-3-[[4-(2-hydroxyethyl)-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-6-(4-hydroxy-3-methoxyphenyl)-1H-indol-2-one

C24H24N2O4 — CID 10126790

IUPAC(3Z)-3-[[4-(2-hydroxyethyl)-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-6-(4-hydroxy-3-methoxyphenyl)-1H-indol-2-one
SMILESCOc1cc(-c2ccc3c(c2)NC(=O)/C3=C\c2[nH]c(C)c(CCO)c2C)ccc1O
InChIInChI=1S/C24H24N2O4/c1-13-17(8-9-27)14(2)25-20(13)12-19-18-6-4-15(10-21(18)26-24(19)29)16-5-7-22(28)23(11-16)30-3/h4-7,10-12,25,27-28H,8-9H2,1-3H3,(H,26,29)/b19-12-
InChIKeyFYUMMNFRXDXZAK-UNOMPAQXSA-N
MW404.47 g/mol
LogP4.04
Rot. Bonds5

About (3Z)-3-[[4-(2-hydroxyethyl)-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-6-(4-hydroxy-3-methoxyphenyl)-1H-indol-2-one

(3Z)-3-[[4-(2-hydroxyethyl)-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-6-(4-hydroxy-3-methoxyphenyl)-1H-indol-2-one (PubChem CID 10126790) has the molecular formula C24H24N2O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is (3Z)-3-[[4-(2-hydroxyethyl)-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-6-(4-hydroxy-3-methoxyphenyl)-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-3-[[4-(2-hydroxyethyl)-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-6-(4-hydroxy-3-methoxyphenyl)-1H-indol-2-one
PubChem CID10126790
Molecular FormulaC24H24N2O4
Molecular Weight404.47 g/mol
Exact Mass404.17
IUPAC Name(3Z)-3-[[4-(2-hydroxyethyl)-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-6-(4-hydroxy-3-methoxyphenyl)-1H-indol-2-one
SMILESCOc1cc(-c2ccc3c(c2)NC(=O)/C3=C\c2[nH]c(C)c(CCO)c2C)ccc1O
InChIInChI=1S/C24H24N2O4/c1-13-17(8-9-27)14(2)25-20(13)12-19-18-6-4-15(10-21(18)26-24(19)29)16-5-7-22(28)23(11-16)30-3/h4-7,10-12,25,27-28H,8-9H2,1-3H3,(H,26,29)/b19-12-
InChIKeyFYUMMNFRXDXZAK-UNOMPAQXSA-N
XLogP4.04
TPSA94.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 54.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3Z)-3-[[4-(2-hydroxyethyl)-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-6-(4-hydroxy-3-methoxyphenyl)-1H-indol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

A-432411
CID 10125830
NP603
CID 23625758
3-Substituted indolin-2-one 9c
CID 5329136
3-Substituted indolin-2-one 9d
CID 5329137
3-Substituted indolin-2-one 11f
CID 5329143
3-Substituted indolin-2-one 11h
CID 5329145
3-Substituted indolin-2-one 16g
CID 5329151
3-Substituted indolin-2-one 16h
CID 5329152
3-Substituted indolin-2-one 16i
CID 5329153
Indolin-2-one deriv. 9e
CID 5329167
Indolin-2-one deriv. 9g
CID 5329169
Indolin-2-one deriv. 9h
CID 5329170

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[[4-(2-hydroxyethyl)-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-6-(4-hydroxy-3-methoxyphenyl)-1H-indol-2-one?
The IUPAC name of (3Z)-3-[[4-(2-hydroxyethyl)-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-6-(4-hydroxy-3-methoxyphenyl)-1H-indol-2-one (CID 10126790) is (3Z)-3-[[4-(2-hydroxyethyl)-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-6-(4-hydroxy-3-methoxyphenyl)-1H-indol-2-one.
What is the SMILES notation for (3Z)-3-[[4-(2-hydroxyethyl)-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-6-(4-hydroxy-3-methoxyphenyl)-1H-indol-2-one?
The canonical SMILES for (3Z)-3-[[4-(2-hydroxyethyl)-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-6-(4-hydroxy-3-methoxyphenyl)-1H-indol-2-one is COc1cc(-c2ccc3c(c2)NC(=O)/C3=C\c2[nH]c(C)c(CCO)c2C)ccc1O.
What is the InChIKey of (3Z)-3-[[4-(2-hydroxyethyl)-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-6-(4-hydroxy-3-methoxyphenyl)-1H-indol-2-one?
The InChIKey is FYUMMNFRXDXZAK-UNOMPAQXSA-N. The full InChI is InChI=1S/C24H24N2O4/c1-13-17(8-9-27)14(2)25-20(13)12-19-18-6-4-15(10-21(18)26-24(19)29)16-5-7-22(28)23(11-16)30-3/h4-7,10-12,25,27-28H,8-9H2,1-3H3,(H,26,29)/b19-12-.
What are the key properties of (3Z)-3-[[4-(2-hydroxyethyl)-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-6-(4-hydroxy-3-methoxyphenyl)-1H-indol-2-one?
(3Z)-3-[[4-(2-hydroxyethyl)-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-6-(4-hydroxy-3-methoxyphenyl)-1H-indol-2-one has a molecular weight of 404.47 g/mol, XLogP of 4.04, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[[4-(2-hydroxyethyl)-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-6-(4-hydroxy-3-methoxyphenyl)-1H-indol-2-one is sourced from PubChem (CID 10126790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).