6-fluoro-3-[(3-fluoro-4-morpholin-4-ylphenyl)iminomethyl]-1H-indol-2-ol

C19H17F2N3O2 — CID 135605323

IUPAC6-fluoro-3-[(3-fluoro-4-morpholin-4-ylphenyl)iminomethyl]-1H-indol-2-ol
SMILESOc1[nH]c2cc(F)ccc2c1/C=N/c1ccc(N2CCOCC2)c(F)c1
InChIInChI=1S/C19H17F2N3O2/c20-12-1-3-14-15(19(25)23-17(14)9-12)11-22-13-2-4-18(16(21)10-13)24-5-7-26-8-6-24/h1-4,9-11,23,25H,5-8H2/b22-11+
InChIKeyXKPHCTTWAVSKAK-SSDVNMTOSA-N
MW357.36 g/mol
LogP3.74
Rot. Bonds3

About 6-fluoro-3-[(3-fluoro-4-morpholin-4-ylphenyl)iminomethyl]-1H-indol-2-ol

6-fluoro-3-[(3-fluoro-4-morpholin-4-ylphenyl)iminomethyl]-1H-indol-2-ol (PubChem CID 135605323) has the molecular formula C19H17F2N3O2 and a molecular weight of 357.36 g/mol. Its IUPAC name is 6-fluoro-3-[(3-fluoro-4-morpholin-4-ylphenyl)iminomethyl]-1H-indol-2-ol.

Molecular Properties

Compound Name6-fluoro-3-[(3-fluoro-4-morpholin-4-ylphenyl)iminomethyl]-1H-indol-2-ol
PubChem CID135605323
Molecular FormulaC19H17F2N3O2
Molecular Weight357.36 g/mol
Exact Mass357.13
IUPAC Name6-fluoro-3-[(3-fluoro-4-morpholin-4-ylphenyl)iminomethyl]-1H-indol-2-ol
SMILESOc1[nH]c2cc(F)ccc2c1/C=N/c1ccc(N2CCOCC2)c(F)c1
InChIInChI=1S/C19H17F2N3O2/c20-12-1-3-14-15(19(25)23-17(14)9-12)11-22-13-2-4-18(16(21)10-13)24-5-7-26-8-6-24/h1-4,9-11,23,25H,5-8H2/b22-11+
InChIKeyXKPHCTTWAVSKAK-SSDVNMTOSA-N
XLogP3.74
TPSA60.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 53.74
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-[(3-fluoro-4-morpholin-4-ylphenyl)iminomethyl]-1H-indol-2-ol?
The IUPAC name of 6-fluoro-3-[(3-fluoro-4-morpholin-4-ylphenyl)iminomethyl]-1H-indol-2-ol (CID 135605323) is 6-fluoro-3-[(3-fluoro-4-morpholin-4-ylphenyl)iminomethyl]-1H-indol-2-ol.
What is the SMILES notation for 6-fluoro-3-[(3-fluoro-4-morpholin-4-ylphenyl)iminomethyl]-1H-indol-2-ol?
The canonical SMILES for 6-fluoro-3-[(3-fluoro-4-morpholin-4-ylphenyl)iminomethyl]-1H-indol-2-ol is Oc1[nH]c2cc(F)ccc2c1/C=N/c1ccc(N2CCOCC2)c(F)c1.
What is the InChIKey of 6-fluoro-3-[(3-fluoro-4-morpholin-4-ylphenyl)iminomethyl]-1H-indol-2-ol?
The InChIKey is XKPHCTTWAVSKAK-SSDVNMTOSA-N. The full InChI is InChI=1S/C19H17F2N3O2/c20-12-1-3-14-15(19(25)23-17(14)9-12)11-22-13-2-4-18(16(21)10-13)24-5-7-26-8-6-24/h1-4,9-11,23,25H,5-8H2/b22-11+.
What are the key properties of 6-fluoro-3-[(3-fluoro-4-morpholin-4-ylphenyl)iminomethyl]-1H-indol-2-ol?
6-fluoro-3-[(3-fluoro-4-morpholin-4-ylphenyl)iminomethyl]-1H-indol-2-ol has a molecular weight of 357.36 g/mol, XLogP of 3.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[(3-fluoro-4-morpholin-4-ylphenyl)iminomethyl]-1H-indol-2-ol is sourced from PubChem (CID 135605323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).