1-(3-aminophenyl)-4-[5-(morpholin-4-ylmethyl)-2,3-dihydroindole-1-carbonyl]pyrrolidin-2-one

C24H28N4O3 — CID 123603655

IUPAC1-(3-aminophenyl)-4-[5-(morpholin-4-ylmethyl)-2,3-dihydroindole-1-carbonyl]pyrrolidin-2-one
SMILESNc1cccc(N2CC(C(=O)N3CCc4cc(CN5CCOCC5)ccc43)CC2=O)c1
InChIInChI=1S/C24H28N4O3/c25-20-2-1-3-21(14-20)28-16-19(13-23(28)29)24(30)27-7-6-18-12-17(4-5-22(18)27)15-26-8-10-31-11-9-26/h1-5,12,14,19H,6-11,13,15-16,25H2
InChIKeyRANDMRMSSGWLOH-UHFFFAOYSA-N
MW420.51 g/mol
LogP2.04
Rot. Bonds4

About 1-(3-aminophenyl)-4-[5-(morpholin-4-ylmethyl)-2,3-dihydroindole-1-carbonyl]pyrrolidin-2-one

1-(3-aminophenyl)-4-[5-(morpholin-4-ylmethyl)-2,3-dihydroindole-1-carbonyl]pyrrolidin-2-one (PubChem CID 123603655) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is 1-(3-aminophenyl)-4-[5-(morpholin-4-ylmethyl)-2,3-dihydroindole-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3-aminophenyl)-4-[5-(morpholin-4-ylmethyl)-2,3-dihydroindole-1-carbonyl]pyrrolidin-2-one
PubChem CID123603655
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name1-(3-aminophenyl)-4-[5-(morpholin-4-ylmethyl)-2,3-dihydroindole-1-carbonyl]pyrrolidin-2-one
SMILESNc1cccc(N2CC(C(=O)N3CCc4cc(CN5CCOCC5)ccc43)CC2=O)c1
InChIInChI=1S/C24H28N4O3/c25-20-2-1-3-21(14-20)28-16-19(13-23(28)29)24(30)27-7-6-18-12-17(4-5-22(18)27)15-26-8-10-31-11-9-26/h1-5,12,14,19H,6-11,13,15-16,25H2
InChIKeyRANDMRMSSGWLOH-UHFFFAOYSA-N
XLogP2.04
TPSA79.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(4S)-4-[5-(chloromethyl)-2,3-dihydroindole-1-carbonyl]-2-oxopyrrolidin-1-yl]benzonitrile;3-[(4S)-4-[5-(morpholin-4-ylmethyl)-2,3-dihydroindole-1-carbonyl]-2-oxopyrrolidin-1-yl]benzonitrile
CID 159931689
1-phenyl-4-(5-pyrrolidin-1-yl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one
CID 110634451
(3S)-1-[4-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 94077375
3-[(4S)-4-[5-[(3-methylimidazol-4-yl)methyl]-2,3-dihydroindole-1-carbonyl]-2-oxopyrrolidin-1-yl]benzonitrile
CID 90124477
1-[4-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid;hydrochloride
CID 141499109
(3S)-1-[4-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid;hydrochloride
CID 122445933
1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 53155815
3-[4-[5-[(2-methoxy-4-pyridinyl)methyl]-2,3-dihydroindole-1-carbonyl]-2-oxopyrrolidin-1-yl]benzonitrile
CID 90124474
3-[4-[5-[(2-methyl-1H-imidazol-5-yl)methyl]-2,3-dihydroindole-1-carbonyl]-2-oxopyrrolidin-1-yl]benzonitrile
CID 90124471
(4R)-4-(2,3-dihydroindole-1-carbonyl)-1-(3-methylsulfanylphenyl)pyrrolidin-2-one
CID 26290450
3-[4-[4-fluoro-3,3-dimethyl-5-(morpholin-4-ylmethyl)-2H-indole-1-carbonyl]-2-oxopyrrolidin-1-yl]benzonitrile
CID 144619865
1-(3-aminophenyl)-4-[3-methyl-5-[(2-methylimidazol-1-yl)methyl]-2,3-dihydroindole-1-carbonyl]pyrrolidin-2-one
CID 123981167

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-4-[5-(morpholin-4-ylmethyl)-2,3-dihydroindole-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1-(3-aminophenyl)-4-[5-(morpholin-4-ylmethyl)-2,3-dihydroindole-1-carbonyl]pyrrolidin-2-one (CID 123603655) is 1-(3-aminophenyl)-4-[5-(morpholin-4-ylmethyl)-2,3-dihydroindole-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-(3-aminophenyl)-4-[5-(morpholin-4-ylmethyl)-2,3-dihydroindole-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-(3-aminophenyl)-4-[5-(morpholin-4-ylmethyl)-2,3-dihydroindole-1-carbonyl]pyrrolidin-2-one is Nc1cccc(N2CC(C(=O)N3CCc4cc(CN5CCOCC5)ccc43)CC2=O)c1.
What is the InChIKey of 1-(3-aminophenyl)-4-[5-(morpholin-4-ylmethyl)-2,3-dihydroindole-1-carbonyl]pyrrolidin-2-one?
The InChIKey is RANDMRMSSGWLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c25-20-2-1-3-21(14-20)28-16-19(13-23(28)29)24(30)27-7-6-18-12-17(4-5-22(18)27)15-26-8-10-31-11-9-26/h1-5,12,14,19H,6-11,13,15-16,25H2.
What are the key properties of 1-(3-aminophenyl)-4-[5-(morpholin-4-ylmethyl)-2,3-dihydroindole-1-carbonyl]pyrrolidin-2-one?
1-(3-aminophenyl)-4-[5-(morpholin-4-ylmethyl)-2,3-dihydroindole-1-carbonyl]pyrrolidin-2-one has a molecular weight of 420.51 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-4-[5-(morpholin-4-ylmethyl)-2,3-dihydroindole-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 123603655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).