[7-fluoro-6-hydroxy-1-(4-phenylbutyl)indol-3-yl]-morpholin-4-ylmethanone

C23H25FN2O3 — CID 178132797

IUPAC[7-fluoro-6-hydroxy-1-(4-phenylbutyl)indol-3-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cn(CCCCc2ccccc2)c2c(F)c(O)ccc12)N1CCOCC1
InChIInChI=1S/C23H25FN2O3/c24-21-20(27)10-9-18-19(23(28)25-12-14-29-15-13-25)16-26(22(18)21)11-5-4-8-17-6-2-1-3-7-17/h1-3,6-7,9-10,16,27H,4-5,8,11-15H2
InChIKeyHWHDVDCKDCIGED-UHFFFAOYSA-N
MW396.46 g/mol
LogP3.98
Rot. Bonds6

About [7-fluoro-6-hydroxy-1-(4-phenylbutyl)indol-3-yl]-morpholin-4-ylmethanone

[7-fluoro-6-hydroxy-1-(4-phenylbutyl)indol-3-yl]-morpholin-4-ylmethanone (PubChem CID 178132797) has the molecular formula C23H25FN2O3 and a molecular weight of 396.46 g/mol. Its IUPAC name is [7-fluoro-6-hydroxy-1-(4-phenylbutyl)indol-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[7-fluoro-6-hydroxy-1-(4-phenylbutyl)indol-3-yl]-morpholin-4-ylmethanone
PubChem CID178132797
Molecular FormulaC23H25FN2O3
Molecular Weight396.46 g/mol
Exact Mass396.18
IUPAC Name[7-fluoro-6-hydroxy-1-(4-phenylbutyl)indol-3-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cn(CCCCc2ccccc2)c2c(F)c(O)ccc12)N1CCOCC1
InChIInChI=1S/C23H25FN2O3/c24-21-20(27)10-9-18-19(23(28)25-12-14-29-15-13-25)16-26(22(18)21)11-5-4-8-17-6-2-1-3-7-17/h1-3,6-7,9-10,16,27H,4-5,8,11-15H2
InChIKeyHWHDVDCKDCIGED-UHFFFAOYSA-N
XLogP3.98
TPSA54.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.46
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[6-fluoro-1-(4-phenylbutyl)indol-3-yl]-morpholin-4-ylmethanone
CID 178132606
N-[3-(morpholine-4-carbonyl)-1-(4-phenylbutyl)indol-7-yl]acetamide
CID 178132617
[4-[4-[6-hydroxy-3-(morpholine-4-carbonyl)indol-1-yl]butyl]phenyl]-morpholin-4-ylmethanone
CID 178132612
[1-[4-(3-chlorophenyl)butyl]indol-3-yl]-morpholin-4-ylmethanone
CID 178132747
[(2R)-2-(hydroxymethyl)morpholin-4-yl]-[1-(4-phenylbutyl)indol-3-yl]methanone
CID 178132778
[1-[4-[3-(1-hydroxyethyl)phenyl]butyl]indol-3-yl]-morpholin-4-ylmethanone
CID 178132839
[1-[4-(2-chlorophenyl)butyl]indol-3-yl]-morpholin-4-ylmethanone
CID 178132526
[1-[4-(1H-indol-5-yl)butyl]indol-3-yl]-morpholin-4-ylmethanone
CID 178132538
4-[4-[4-methyl-3-(morpholine-4-carbonyl)indol-1-yl]butyl]benzoic acid
CID 178132818
[4-[5-(aminomethyl)-2-fluorophenyl]piperidin-1-yl]-[7-methyl-1-(3-phenylpropyl)indol-3-yl]methanone
CID 53258372
morpholin-4-yl-[1-(4-piperidin-4-ylbutyl)indol-3-yl]methanone
CID 178132767
methyl 3-[4-[3-(morpholine-4-carbonyl)pyrrolo[3,2-b]pyridin-1-yl]butyl]benzoate
CID 177244684

Frequently Asked Questions

What is the IUPAC name of [7-fluoro-6-hydroxy-1-(4-phenylbutyl)indol-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [7-fluoro-6-hydroxy-1-(4-phenylbutyl)indol-3-yl]-morpholin-4-ylmethanone (CID 178132797) is [7-fluoro-6-hydroxy-1-(4-phenylbutyl)indol-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [7-fluoro-6-hydroxy-1-(4-phenylbutyl)indol-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [7-fluoro-6-hydroxy-1-(4-phenylbutyl)indol-3-yl]-morpholin-4-ylmethanone is O=C(c1cn(CCCCc2ccccc2)c2c(F)c(O)ccc12)N1CCOCC1.
What is the InChIKey of [7-fluoro-6-hydroxy-1-(4-phenylbutyl)indol-3-yl]-morpholin-4-ylmethanone?
The InChIKey is HWHDVDCKDCIGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O3/c24-21-20(27)10-9-18-19(23(28)25-12-14-29-15-13-25)16-26(22(18)21)11-5-4-8-17-6-2-1-3-7-17/h1-3,6-7,9-10,16,27H,4-5,8,11-15H2.
What are the key properties of [7-fluoro-6-hydroxy-1-(4-phenylbutyl)indol-3-yl]-morpholin-4-ylmethanone?
[7-fluoro-6-hydroxy-1-(4-phenylbutyl)indol-3-yl]-morpholin-4-ylmethanone has a molecular weight of 396.46 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [7-fluoro-6-hydroxy-1-(4-phenylbutyl)indol-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 178132797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).