6-fluoro-3-[[4-[2-methoxyethyl(propyl)amino]phenyl]iminomethyl]-1,3-dihydroindol-2-one

C21H24FN3O2 — CID 91166407

IUPAC6-fluoro-3-[[4-[2-methoxyethyl(propyl)amino]phenyl]iminomethyl]-1,3-dihydroindol-2-one
SMILESCCCN(CCOC)c1ccc(/N=C/C2C(=O)Nc3cc(F)ccc32)cc1
InChIInChI=1S/C21H24FN3O2/c1-3-10-25(11-12-27-2)17-7-5-16(6-8-17)23-14-19-18-9-4-15(22)13-20(18)24-21(19)26/h4-9,13-14,19H,3,10-12H2,1-2H3,(H,24,26)/b23-14+
InChIKeyQKPIBULUXHUXBE-OEAKJJBVSA-N
MW369.44 g/mol
LogP4.13
Rot. Bonds8

About 6-fluoro-3-[[4-[2-methoxyethyl(propyl)amino]phenyl]iminomethyl]-1,3-dihydroindol-2-one

6-fluoro-3-[[4-[2-methoxyethyl(propyl)amino]phenyl]iminomethyl]-1,3-dihydroindol-2-one (PubChem CID 91166407) has the molecular formula C21H24FN3O2 and a molecular weight of 369.44 g/mol. Its IUPAC name is 6-fluoro-3-[[4-[2-methoxyethyl(propyl)amino]phenyl]iminomethyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-fluoro-3-[[4-[2-methoxyethyl(propyl)amino]phenyl]iminomethyl]-1,3-dihydroindol-2-one
PubChem CID91166407
Molecular FormulaC21H24FN3O2
Molecular Weight369.44 g/mol
Exact Mass369.19
IUPAC Name6-fluoro-3-[[4-[2-methoxyethyl(propyl)amino]phenyl]iminomethyl]-1,3-dihydroindol-2-one
SMILESCCCN(CCOC)c1ccc(/N=C/C2C(=O)Nc3cc(F)ccc32)cc1
InChIInChI=1S/C21H24FN3O2/c1-3-10-25(11-12-27-2)17-7-5-16(6-8-17)23-14-19-18-9-4-15(22)13-20(18)24-21(19)26/h4-9,13-14,19H,3,10-12H2,1-2H3,(H,24,26)/b23-14+
InChIKeyQKPIBULUXHUXBE-OEAKJJBVSA-N
XLogP4.13
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

6-fluoro-3-[[4-(1-methoxypropan-2-ylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one
CID 91503293
3-[[4-[2-(1,3-dioxolan-2-yl)ethyl-methylamino]phenyl]iminomethyl]-6-fluoro-1,3-dihydroindol-2-one
CID 91243972
4-fluoro-3-[[4-[2-methoxyethyl(propyl)amino]-3-methylphenyl]iminomethyl]-1,3-dihydroindol-2-one
CID 90750415
3-[[4-[2-[di(propan-2-yl)amino]ethylamino]phenyl]iminomethyl]-6-fluoro-1,3-dihydroindol-2-one
CID 91195491
6-fluoro-3-[[4-(3-piperidin-1-ylpropoxy)phenyl]iminomethyl]-1,3-dihydroindol-2-one
CID 90873924
3-[[4-[butyl(ethyl)amino]-3-fluorophenyl]iminomethyl]-5-fluoro-1,3-dihydroindol-2-one
CID 91343024
3-[[4-[1-(dimethylamino)propan-2-ylamino]-3-fluorophenyl]iminomethyl]-6-fluoro-1,3-dihydroindol-2-one
CID 91402105
3-[[4-[2-(1,3-dioxolan-2-yl)ethyl-methylamino]-3-methylphenyl]iminomethyl]-6-fluoro-1,3-dihydroindol-2-one
CID 90718823
6-bromo-3-[(4-ethoxyphenyl)iminomethyl]-1,3-dihydroindol-2-one
CID 22296498
3-amino-6-[2-methoxyethyl(prop-2-enyl)amino]-1,3-dihydroindol-2-one
CID 103339183
6-fluoro-3-[[4-[3-(2-methylpiperidin-1-yl)propylamino]phenyl]iminomethyl]-1,3-dihydroindol-2-one
CID 90949850
3-[[5-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]-1H-pyrazol-3-yl]iminomethyl]-6-fluoro-1,3-dihydroindol-2-one
CID 90800827

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-[[4-[2-methoxyethyl(propyl)amino]phenyl]iminomethyl]-1,3-dihydroindol-2-one?
The IUPAC name of 6-fluoro-3-[[4-[2-methoxyethyl(propyl)amino]phenyl]iminomethyl]-1,3-dihydroindol-2-one (CID 91166407) is 6-fluoro-3-[[4-[2-methoxyethyl(propyl)amino]phenyl]iminomethyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-fluoro-3-[[4-[2-methoxyethyl(propyl)amino]phenyl]iminomethyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 6-fluoro-3-[[4-[2-methoxyethyl(propyl)amino]phenyl]iminomethyl]-1,3-dihydroindol-2-one is CCCN(CCOC)c1ccc(/N=C/C2C(=O)Nc3cc(F)ccc32)cc1.
What is the InChIKey of 6-fluoro-3-[[4-[2-methoxyethyl(propyl)amino]phenyl]iminomethyl]-1,3-dihydroindol-2-one?
The InChIKey is QKPIBULUXHUXBE-OEAKJJBVSA-N. The full InChI is InChI=1S/C21H24FN3O2/c1-3-10-25(11-12-27-2)17-7-5-16(6-8-17)23-14-19-18-9-4-15(22)13-20(18)24-21(19)26/h4-9,13-14,19H,3,10-12H2,1-2H3,(H,24,26)/b23-14+.
What are the key properties of 6-fluoro-3-[[4-[2-methoxyethyl(propyl)amino]phenyl]iminomethyl]-1,3-dihydroindol-2-one?
6-fluoro-3-[[4-[2-methoxyethyl(propyl)amino]phenyl]iminomethyl]-1,3-dihydroindol-2-one has a molecular weight of 369.44 g/mol, XLogP of 4.13, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[[4-[2-methoxyethyl(propyl)amino]phenyl]iminomethyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 91166407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).