4-[(4-chlorophenyl)hydrazinylidene]-1-[4-(2-cyclopropylbutoxy)-3-methoxyphenyl]-3-iminopyrrolidin-2-one

C24H27ClN4O3 — CID 90937471

IUPAC4-[(4-chlorophenyl)hydrazinylidene]-1-[4-(2-cyclopropylbutoxy)-3-methoxyphenyl]-3-iminopyrrolidin-2-one
SMILES[H]/N=C1/C(=O)N(c2ccc(OCC(CC)C3CC3)c(OC)c2)CC1=NNc1ccc(Cl)cc1
InChIInChI=1S/C24H27ClN4O3/c1-3-15(16-4-5-16)14-32-21-11-10-19(12-22(21)31-2)29-13-20(23(26)24(29)30)28-27-18-8-6-17(25)7-9-18/h6-12,15-16,26-27H,3-5,13-14H2,1-2H3/b26-23+,28-20?
InChIKeyYDWPDDAXJBOMNJ-NZVHCUAOSA-N
MW454.96 g/mol
LogP5.00
Rot. Bonds9

About 4-[(4-chlorophenyl)hydrazinylidene]-1-[4-(2-cyclopropylbutoxy)-3-methoxyphenyl]-3-iminopyrrolidin-2-one

4-[(4-chlorophenyl)hydrazinylidene]-1-[4-(2-cyclopropylbutoxy)-3-methoxyphenyl]-3-iminopyrrolidin-2-one (PubChem CID 90937471) has the molecular formula C24H27ClN4O3 and a molecular weight of 454.96 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)hydrazinylidene]-1-[4-(2-cyclopropylbutoxy)-3-methoxyphenyl]-3-iminopyrrolidin-2-one.

Molecular Properties

Compound Name4-[(4-chlorophenyl)hydrazinylidene]-1-[4-(2-cyclopropylbutoxy)-3-methoxyphenyl]-3-iminopyrrolidin-2-one
PubChem CID90937471
Molecular FormulaC24H27ClN4O3
Molecular Weight454.96 g/mol
Exact Mass454.18
IUPAC Name4-[(4-chlorophenyl)hydrazinylidene]-1-[4-(2-cyclopropylbutoxy)-3-methoxyphenyl]-3-iminopyrrolidin-2-one
SMILES[H]/N=C1/C(=O)N(c2ccc(OCC(CC)C3CC3)c(OC)c2)CC1=NNc1ccc(Cl)cc1
InChIInChI=1S/C24H27ClN4O3/c1-3-15(16-4-5-16)14-32-21-11-10-19(12-22(21)31-2)29-13-20(23(26)24(29)30)28-27-18-8-6-17(25)7-9-18/h6-12,15-16,26-27H,3-5,13-14H2,1-2H3/b26-23+,28-20?
InChIKeyYDWPDDAXJBOMNJ-NZVHCUAOSA-N
XLogP5.00
TPSA87.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.96
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[(4-chlorophenyl)hydrazinylidene]-1-[4-(2-cyclopropylbutoxy)-3-methoxyphenyl]-3-iminopyrrolidin-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

4-chloroaniline;1-[4-(2-cyclopropyl-3-hydroxypropoxy)-3-methoxyphenyl]-3,4-diiminopyrrolidin-2-one
CID 143980998
1-[4-(2-cyclopropyl-3-hydroxypropoxy)-3-methoxyphenyl]-3,4-diiminopyrrolidin-2-one
CID 143980999
4-chloroaniline;ethane;1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]-3,4-diiminopyrrolidin-2-one
CID 143980992
2-(4-chlorophenyl)-5-[4-[(2R)-3-ethylsulfonyl-2-hydroxypropoxy]-3-methoxyphenyl]-4H-thieno[2,3-c]pyrrol-6-one
CID 45280555
[2-[4-[2-(4-chlorophenyl)-6-oxo-4H-pyrrolo[3,4-c]pyrazol-5-yl]-2-methoxyphenoxy]-1-cyclopropylethyl] 2-amino-3-methylbutanoate
CID 75167575
[(2S)-1-[4-[2-(4-chlorophenyl)-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl]-2-methoxyphenoxy]-3-ethylsulfonylpropan-2-yl] (2S)-2-(chloroamino)-3-methylbutanoate
CID 88910191
2-(4-chlorophenyl)-5-[4-[(3-fluoro-1-hydroxy-3-methylcyclobutyl)methoxy]-3-methoxyphenyl]-4H-thieno[2,3-c]pyrrol-6-one
CID 58387713
[2-[4-[2-(4-chlorophenyl)-6-oxo-4H-pyrrolo[3,4-c]pyrazol-5-yl]-2-methoxyphenoxy]-1-cyclopropylethyl] 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 76773182
1-(4-chlorophenyl)-6-methoxy-2-[4-(methylamino)phenyl]-7-propan-2-yloxy-1,3-dihydroisoquinolin-4-one
CID 174217670
(3S)-1-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 94079963
1-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 50797741
2-(4-chlorophenyl)-5-[4-[(3,3-difluoro-1-hydroxycyclobutyl)methoxy]-3-methoxyphenyl]-4H-pyrrolo[3,4-c]pyrazol-6-one
CID 46189853

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)hydrazinylidene]-1-[4-(2-cyclopropylbutoxy)-3-methoxyphenyl]-3-iminopyrrolidin-2-one?
The IUPAC name of 4-[(4-chlorophenyl)hydrazinylidene]-1-[4-(2-cyclopropylbutoxy)-3-methoxyphenyl]-3-iminopyrrolidin-2-one (CID 90937471) is 4-[(4-chlorophenyl)hydrazinylidene]-1-[4-(2-cyclopropylbutoxy)-3-methoxyphenyl]-3-iminopyrrolidin-2-one.
What is the SMILES notation for 4-[(4-chlorophenyl)hydrazinylidene]-1-[4-(2-cyclopropylbutoxy)-3-methoxyphenyl]-3-iminopyrrolidin-2-one?
The canonical SMILES for 4-[(4-chlorophenyl)hydrazinylidene]-1-[4-(2-cyclopropylbutoxy)-3-methoxyphenyl]-3-iminopyrrolidin-2-one is [H]/N=C1/C(=O)N(c2ccc(OCC(CC)C3CC3)c(OC)c2)CC1=NNc1ccc(Cl)cc1.
What is the InChIKey of 4-[(4-chlorophenyl)hydrazinylidene]-1-[4-(2-cyclopropylbutoxy)-3-methoxyphenyl]-3-iminopyrrolidin-2-one?
The InChIKey is YDWPDDAXJBOMNJ-NZVHCUAOSA-N. The full InChI is InChI=1S/C24H27ClN4O3/c1-3-15(16-4-5-16)14-32-21-11-10-19(12-22(21)31-2)29-13-20(23(26)24(29)30)28-27-18-8-6-17(25)7-9-18/h6-12,15-16,26-27H,3-5,13-14H2,1-2H3/b26-23+,28-20?.
What are the key properties of 4-[(4-chlorophenyl)hydrazinylidene]-1-[4-(2-cyclopropylbutoxy)-3-methoxyphenyl]-3-iminopyrrolidin-2-one?
4-[(4-chlorophenyl)hydrazinylidene]-1-[4-(2-cyclopropylbutoxy)-3-methoxyphenyl]-3-iminopyrrolidin-2-one has a molecular weight of 454.96 g/mol, XLogP of 5.00, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)hydrazinylidene]-1-[4-(2-cyclopropylbutoxy)-3-methoxyphenyl]-3-iminopyrrolidin-2-one is sourced from PubChem (CID 90937471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).