5-[2-(2-amino-5-phenylphenyl)acetyl]-7-cyclopropyl-1-(2-morpholin-4-ylethyl)-3H-indol-2-one

C31H33N3O3 — CID 153183619

IUPAC5-[2-(2-amino-5-phenylphenyl)acetyl]-7-cyclopropyl-1-(2-morpholin-4-ylethyl)-3H-indol-2-one
SMILESNc1ccc(-c2ccccc2)cc1CC(=O)c1cc2c(c(C3CC3)c1)N(CCN1CCOCC1)C(=O)C2
InChIInChI=1S/C31H33N3O3/c32-28-9-8-23(21-4-2-1-3-5-21)16-24(28)19-29(35)25-17-26-20-30(36)34(11-10-33-12-14-37-15-13-33)31(26)27(18-25)22-6-7-22/h1-5,8-9,16-18,22H,6-7,10-15,19-20,32H2
InChIKeyWGQOSUWYZRAVDD-UHFFFAOYSA-N
MW495.62 g/mol
LogP4.46
Rot. Bonds8

About 5-[2-(2-amino-5-phenylphenyl)acetyl]-7-cyclopropyl-1-(2-morpholin-4-ylethyl)-3H-indol-2-one

5-[2-(2-amino-5-phenylphenyl)acetyl]-7-cyclopropyl-1-(2-morpholin-4-ylethyl)-3H-indol-2-one (PubChem CID 153183619) has the molecular formula C31H33N3O3 and a molecular weight of 495.62 g/mol. Its IUPAC name is 5-[2-(2-amino-5-phenylphenyl)acetyl]-7-cyclopropyl-1-(2-morpholin-4-ylethyl)-3H-indol-2-one.

Molecular Properties

Compound Name5-[2-(2-amino-5-phenylphenyl)acetyl]-7-cyclopropyl-1-(2-morpholin-4-ylethyl)-3H-indol-2-one
PubChem CID153183619
Molecular FormulaC31H33N3O3
Molecular Weight495.62 g/mol
Exact Mass495.25
IUPAC Name5-[2-(2-amino-5-phenylphenyl)acetyl]-7-cyclopropyl-1-(2-morpholin-4-ylethyl)-3H-indol-2-one
SMILESNc1ccc(-c2ccccc2)cc1CC(=O)c1cc2c(c(C3CC3)c1)N(CCN1CCOCC1)C(=O)C2
InChIInChI=1S/C31H33N3O3/c32-28-9-8-23(21-4-2-1-3-5-21)16-24(28)19-29(35)25-17-26-20-30(36)34(11-10-33-12-14-37-15-13-33)31(26)27(18-25)22-6-7-22/h1-5,8-9,16-18,22H,6-7,10-15,19-20,32H2
InChIKeyWGQOSUWYZRAVDD-UHFFFAOYSA-N
XLogP4.46
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.62
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-[2-(2-amino-5-phenylphenyl)acetyl]-7-cyclopropyl-1-(2-morpholin-4-ylethyl)-3H-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

2-(2-amino-5-phenylphenyl)-1-[7-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone
CID 152898842
2-(2-amino-5-phenylphenyl)-1-[1-(2-morpholin-4-ylethyl)indazol-5-yl]ethanone
CID 149000250
2-(2-amino-5-phenylphenyl)-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone
CID 158909763
1-(2-morpholin-4-ylethyl)-7-(3-phenylphenyl)-3,4-dihydroquinolin-2-one
CID 175346344
1-(2-morpholin-4-ylethyl)-5-nitro-3H-indol-2-one
CID 169265741
5-(2-morpholin-4-ylethyl)-2-phenyl-3H-pyrido[2,3-b][1,4]diazepin-4-one
CID 3087168
3-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylic acid
CID 90128383
N-(2-amino-5-phenylphenyl)-1-(2-morpholin-4-ylethyl)indazole-5-carboxamide
CID 90116038
(1R,9S)-11-(2-morpholin-4-ylethyl)-4-phenyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 175642831
3-morpholin-4-yl-1-(4-phenylphenyl)propan-1-ol
CID 3039644
7-cyclopropyl-1-(2-morpholin-4-ylethyl)indazole-5-carboxylic acid
CID 90128431
2-(2-amino-5-phenylphenyl)-1-[2-[[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]methyl]pyrimidin-5-yl]ethanone
CID 152859248

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-amino-5-phenylphenyl)acetyl]-7-cyclopropyl-1-(2-morpholin-4-ylethyl)-3H-indol-2-one?
The IUPAC name of 5-[2-(2-amino-5-phenylphenyl)acetyl]-7-cyclopropyl-1-(2-morpholin-4-ylethyl)-3H-indol-2-one (CID 153183619) is 5-[2-(2-amino-5-phenylphenyl)acetyl]-7-cyclopropyl-1-(2-morpholin-4-ylethyl)-3H-indol-2-one.
What is the SMILES notation for 5-[2-(2-amino-5-phenylphenyl)acetyl]-7-cyclopropyl-1-(2-morpholin-4-ylethyl)-3H-indol-2-one?
The canonical SMILES for 5-[2-(2-amino-5-phenylphenyl)acetyl]-7-cyclopropyl-1-(2-morpholin-4-ylethyl)-3H-indol-2-one is Nc1ccc(-c2ccccc2)cc1CC(=O)c1cc2c(c(C3CC3)c1)N(CCN1CCOCC1)C(=O)C2.
What is the InChIKey of 5-[2-(2-amino-5-phenylphenyl)acetyl]-7-cyclopropyl-1-(2-morpholin-4-ylethyl)-3H-indol-2-one?
The InChIKey is WGQOSUWYZRAVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33N3O3/c32-28-9-8-23(21-4-2-1-3-5-21)16-24(28)19-29(35)25-17-26-20-30(36)34(11-10-33-12-14-37-15-13-33)31(26)27(18-25)22-6-7-22/h1-5,8-9,16-18,22H,6-7,10-15,19-20,32H2.
What are the key properties of 5-[2-(2-amino-5-phenylphenyl)acetyl]-7-cyclopropyl-1-(2-morpholin-4-ylethyl)-3H-indol-2-one?
5-[2-(2-amino-5-phenylphenyl)acetyl]-7-cyclopropyl-1-(2-morpholin-4-ylethyl)-3H-indol-2-one has a molecular weight of 495.62 g/mol, XLogP of 4.46, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-amino-5-phenylphenyl)acetyl]-7-cyclopropyl-1-(2-morpholin-4-ylethyl)-3H-indol-2-one is sourced from PubChem (CID 153183619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).