6-fluoro-3-[[3-methyl-4-(2-morpholin-4-ylethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one

C22H25FN4O2 — CID 91423097

IUPAC6-fluoro-3-[[3-methyl-4-(2-morpholin-4-ylethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one
SMILESCc1cc(/N=C/C2C(=O)Nc3cc(F)ccc32)ccc1NCCN1CCOCC1
InChIInChI=1S/C22H25FN4O2/c1-15-12-17(3-5-20(15)24-6-7-27-8-10-29-11-9-27)25-14-19-18-4-2-16(23)13-21(18)26-22(19)28/h2-5,12-14,19,24H,6-11H2,1H3,(H,26,28)/b25-14+
InChIKeyRUZGHVTWZNIMHM-AFUMVMLFSA-N
MW396.47 g/mol
LogP3.32
Rot. Bonds6

About 6-fluoro-3-[[3-methyl-4-(2-morpholin-4-ylethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one

6-fluoro-3-[[3-methyl-4-(2-morpholin-4-ylethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one (PubChem CID 91423097) has the molecular formula C22H25FN4O2 and a molecular weight of 396.47 g/mol. Its IUPAC name is 6-fluoro-3-[[3-methyl-4-(2-morpholin-4-ylethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-fluoro-3-[[3-methyl-4-(2-morpholin-4-ylethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one
PubChem CID91423097
Molecular FormulaC22H25FN4O2
Molecular Weight396.47 g/mol
Exact Mass396.20
IUPAC Name6-fluoro-3-[[3-methyl-4-(2-morpholin-4-ylethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one
SMILESCc1cc(/N=C/C2C(=O)Nc3cc(F)ccc32)ccc1NCCN1CCOCC1
InChIInChI=1S/C22H25FN4O2/c1-15-12-17(3-5-20(15)24-6-7-27-8-10-29-11-9-27)25-14-19-18-4-2-16(23)13-21(18)26-22(19)28/h2-5,12-14,19,24H,6-11H2,1H3,(H,26,28)/b25-14+
InChIKeyRUZGHVTWZNIMHM-AFUMVMLFSA-N
XLogP3.32
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-fluoro-3-[[3-methyl-4-(2-morpholin-4-ylethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one with MolForge

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Related Compounds

4-methyl-3-[[3-methyl-4-(2-morpholin-4-ylethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one
CID 91616986
4-fluoro-3-[[3-fluoro-4-(2-morpholin-4-ylethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one
CID 90773092
6-fluoro-3-[[3-methyl-4-[(5-methylpyrazin-2-yl)methylamino]phenyl]iminomethyl]-1,3-dihydroindol-2-one
CID 90748997
4-methyl-3-[[4-(2-morpholin-4-ylethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one
CID 90985544
6-fluoro-3-[[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one
CID 90960094
5-fluoro-3-[[4-(morpholin-4-ylmethyl)phenyl]iminomethyl]-1,3-dihydroindol-2-one
CID 91149648
3-[[4-[2-(1,3-dioxolan-2-yl)ethyl-methylamino]-3-methylphenyl]iminomethyl]-6-fluoro-1,3-dihydroindol-2-one
CID 90718823
2,5-dimethyl-N-[3-[3-[[4-(2-morpholin-4-ylethylamino)phenyl]iminomethyl]-2-oxo-1,3-dihydroindole-6-carbonyl]phenyl]pyrazole-3-carboxamide
CID 91466833
5-chloro-3-[[4-(3-morpholin-4-ylpropylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one
CID 91523176
6-fluoro-3-[[4-[3-(2-methylpiperidin-1-yl)propylamino]phenyl]iminomethyl]-1,3-dihydroindol-2-one
CID 90949850
3-[[4-[2-[di(propan-2-yl)amino]ethylamino]phenyl]iminomethyl]-6-fluoro-1,3-dihydroindol-2-one
CID 91195491
6-fluoro-3-[[3-fluoro-4-(2-pyridin-3-ylethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one
CID 91411132

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-[[3-methyl-4-(2-morpholin-4-ylethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one?
The IUPAC name of 6-fluoro-3-[[3-methyl-4-(2-morpholin-4-ylethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one (CID 91423097) is 6-fluoro-3-[[3-methyl-4-(2-morpholin-4-ylethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-fluoro-3-[[3-methyl-4-(2-morpholin-4-ylethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 6-fluoro-3-[[3-methyl-4-(2-morpholin-4-ylethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one is Cc1cc(/N=C/C2C(=O)Nc3cc(F)ccc32)ccc1NCCN1CCOCC1.
What is the InChIKey of 6-fluoro-3-[[3-methyl-4-(2-morpholin-4-ylethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one?
The InChIKey is RUZGHVTWZNIMHM-AFUMVMLFSA-N. The full InChI is InChI=1S/C22H25FN4O2/c1-15-12-17(3-5-20(15)24-6-7-27-8-10-29-11-9-27)25-14-19-18-4-2-16(23)13-21(18)26-22(19)28/h2-5,12-14,19,24H,6-11H2,1H3,(H,26,28)/b25-14+.
What are the key properties of 6-fluoro-3-[[3-methyl-4-(2-morpholin-4-ylethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one?
6-fluoro-3-[[3-methyl-4-(2-morpholin-4-ylethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one has a molecular weight of 396.47 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[[3-methyl-4-(2-morpholin-4-ylethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 91423097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).