4-fluoro-3-[[3-methyl-4-(3-morpholin-4-ylpropylamino)phenyl]iminomethyl]-1H-indol-2-ol

C23H27FN4O2 — CID 135605378

IUPAC4-fluoro-3-[[3-methyl-4-(3-morpholin-4-ylpropylamino)phenyl]iminomethyl]-1H-indol-2-ol
SMILESCc1cc(/N=C/c2c(O)[nH]c3cccc(F)c23)ccc1NCCCN1CCOCC1
InChIInChI=1S/C23H27FN4O2/c1-16-14-17(6-7-20(16)25-8-3-9-28-10-12-30-13-11-28)26-15-18-22-19(24)4-2-5-21(22)27-23(18)29/h2,4-7,14-15,25,27,29H,3,8-13H2,1H3/b26-15+
InChIKeyMZQLIAHRFJWKCL-CVKSISIWSA-N
MW410.49 g/mol
LogP4.21
Rot. Bonds7

About 4-fluoro-3-[[3-methyl-4-(3-morpholin-4-ylpropylamino)phenyl]iminomethyl]-1H-indol-2-ol

4-fluoro-3-[[3-methyl-4-(3-morpholin-4-ylpropylamino)phenyl]iminomethyl]-1H-indol-2-ol (PubChem CID 135605378) has the molecular formula C23H27FN4O2 and a molecular weight of 410.49 g/mol. Its IUPAC name is 4-fluoro-3-[[3-methyl-4-(3-morpholin-4-ylpropylamino)phenyl]iminomethyl]-1H-indol-2-ol.

Molecular Properties

Compound Name4-fluoro-3-[[3-methyl-4-(3-morpholin-4-ylpropylamino)phenyl]iminomethyl]-1H-indol-2-ol
PubChem CID135605378
Molecular FormulaC23H27FN4O2
Molecular Weight410.49 g/mol
Exact Mass410.21
IUPAC Name4-fluoro-3-[[3-methyl-4-(3-morpholin-4-ylpropylamino)phenyl]iminomethyl]-1H-indol-2-ol
SMILESCc1cc(/N=C/c2c(O)[nH]c3cccc(F)c23)ccc1NCCCN1CCOCC1
InChIInChI=1S/C23H27FN4O2/c1-16-14-17(6-7-20(16)25-8-3-9-28-10-12-30-13-11-28)26-15-18-22-19(24)4-2-5-21(22)27-23(18)29/h2,4-7,14-15,25,27,29H,3,8-13H2,1H3/b26-15+
InChIKeyMZQLIAHRFJWKCL-CVKSISIWSA-N
XLogP4.21
TPSA72.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.49
LogP ≤ 54.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-3-[[3-fluoro-4-(2-morpholin-4-ylethylamino)phenyl]iminomethyl]-1H-indol-2-ol
CID 135605535
4-methyl-3-[[4-(2-morpholin-4-ylethylamino)phenyl]iminomethyl]-1H-indol-2-ol
CID 135605299
4-fluoro-3-[[3-fluoro-4-(2-pyridin-4-ylethylamino)phenyl]iminomethyl]-1H-indol-2-ol
CID 135605354
3-[[4-(4-butylpiperazin-1-yl)phenyl]iminomethyl]-4-methyl-1H-indol-2-ol
CID 135605341
1-[4-[(4-fluoro-2-hydroxy-1H-indol-3-yl)methylideneamino]-2-methylphenyl]piperidine-4-carboxylic acid
CID 135605301
3-[[3-fluoro-4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]iminomethyl]-4-methyl-1H-indol-2-ol
CID 135605226
3-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]iminomethyl]-4-methyl-1H-indol-2-ol
CID 135605312
6-fluoro-3-[[3-methyl-4-(2-morpholin-4-ylethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one
CID 91423097
3-[[4-[2-(diethylamino)ethylamino]-3-methylphenyl]iminomethyl]-5-fluoro-1H-indol-2-ol
CID 135605264
3-methyl-4-(3-morpholin-4-ylpropylamino)benzoic acid
CID 62710111
3-[[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]iminomethyl]-4-fluoro-1H-indol-2-ol
CID 135605174
1-[(Z)-(2,6-difluorophenyl)methylideneamino]-3-(3-morpholin-4-ylpropyl)thiourea
CID 9411568

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[[3-methyl-4-(3-morpholin-4-ylpropylamino)phenyl]iminomethyl]-1H-indol-2-ol?
The IUPAC name of 4-fluoro-3-[[3-methyl-4-(3-morpholin-4-ylpropylamino)phenyl]iminomethyl]-1H-indol-2-ol (CID 135605378) is 4-fluoro-3-[[3-methyl-4-(3-morpholin-4-ylpropylamino)phenyl]iminomethyl]-1H-indol-2-ol.
What is the SMILES notation for 4-fluoro-3-[[3-methyl-4-(3-morpholin-4-ylpropylamino)phenyl]iminomethyl]-1H-indol-2-ol?
The canonical SMILES for 4-fluoro-3-[[3-methyl-4-(3-morpholin-4-ylpropylamino)phenyl]iminomethyl]-1H-indol-2-ol is Cc1cc(/N=C/c2c(O)[nH]c3cccc(F)c23)ccc1NCCCN1CCOCC1.
What is the InChIKey of 4-fluoro-3-[[3-methyl-4-(3-morpholin-4-ylpropylamino)phenyl]iminomethyl]-1H-indol-2-ol?
The InChIKey is MZQLIAHRFJWKCL-CVKSISIWSA-N. The full InChI is InChI=1S/C23H27FN4O2/c1-16-14-17(6-7-20(16)25-8-3-9-28-10-12-30-13-11-28)26-15-18-22-19(24)4-2-5-21(22)27-23(18)29/h2,4-7,14-15,25,27,29H,3,8-13H2,1H3/b26-15+.
What are the key properties of 4-fluoro-3-[[3-methyl-4-(3-morpholin-4-ylpropylamino)phenyl]iminomethyl]-1H-indol-2-ol?
4-fluoro-3-[[3-methyl-4-(3-morpholin-4-ylpropylamino)phenyl]iminomethyl]-1H-indol-2-ol has a molecular weight of 410.49 g/mol, XLogP of 4.21, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[[3-methyl-4-(3-morpholin-4-ylpropylamino)phenyl]iminomethyl]-1H-indol-2-ol is sourced from PubChem (CID 135605378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).