1-[2-(2-fluorophenyl)-5-morpholin-4-yl-2a,3,4,5-tetrahydro-2H-benzo[cd]indol-1-yl]ethanone

C23H25FN2O2 — CID 19348332

IUPAC1-[2-(2-fluorophenyl)-5-morpholin-4-yl-2a,3,4,5-tetrahydro-2H-benzo[cd]indol-1-yl]ethanone
SMILESCC(=O)N1c2cccc3c2C(CCC3N2CCOCC2)C1c1ccccc1F
InChIInChI=1S/C23H25FN2O2/c1-15(27)26-21-8-4-6-17-20(25-11-13-28-14-12-25)10-9-18(22(17)21)23(26)16-5-2-3-7-19(16)24/h2-8,18,20,23H,9-14H2,1H3
InChIKeyUKSLHGGYQATVNI-UHFFFAOYSA-N
MW380.46 g/mol
LogP4.18
Rot. Bonds2

About 1-[2-(2-fluorophenyl)-5-morpholin-4-yl-2a,3,4,5-tetrahydro-2H-benzo[cd]indol-1-yl]ethanone

1-[2-(2-fluorophenyl)-5-morpholin-4-yl-2a,3,4,5-tetrahydro-2H-benzo[cd]indol-1-yl]ethanone (PubChem CID 19348332) has the molecular formula C23H25FN2O2 and a molecular weight of 380.46 g/mol. Its IUPAC name is 1-[2-(2-fluorophenyl)-5-morpholin-4-yl-2a,3,4,5-tetrahydro-2H-benzo[cd]indol-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-(2-fluorophenyl)-5-morpholin-4-yl-2a,3,4,5-tetrahydro-2H-benzo[cd]indol-1-yl]ethanone
PubChem CID19348332
Molecular FormulaC23H25FN2O2
Molecular Weight380.46 g/mol
Exact Mass380.19
IUPAC Name1-[2-(2-fluorophenyl)-5-morpholin-4-yl-2a,3,4,5-tetrahydro-2H-benzo[cd]indol-1-yl]ethanone
SMILESCC(=O)N1c2cccc3c2C(CCC3N2CCOCC2)C1c1ccccc1F
InChIInChI=1S/C23H25FN2O2/c1-15(27)26-21-8-4-6-17-20(25-11-13-28-14-12-25)10-9-18(22(17)21)23(26)16-5-2-3-7-19(16)24/h2-8,18,20,23H,9-14H2,1H3
InChIKeyUKSLHGGYQATVNI-UHFFFAOYSA-N
XLogP4.18
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.46
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-acetyl-2-phenyl-2,2a,3,5-tetrahydrobenzo[cd]indol-4-one
CID 19348129
[(1R,2R)-2-(2-fluorophenyl)cyclopropyl]-[(3R,4R)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone
CID 129462021
2-(5-acetyl-6H-phenanthridin-6-yl)cyclopentan-1-one
CID 23118687
4-(14-methyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-4-yl)morpholine
CID 22760893
N-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-morpholin-4-ylbenzamide
CID 94873327
2-(1-acetyl-2,3-dihydroindol-3-yl)-1-morpholin-4-ylethanone
CID 110681914
4-[(1S,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]morpholine
CID 44608252
(2S,3S)-3-(2-fluorophenyl)-4-methyl-N-(2-morpholin-4-ylethyl)-5-oxomorpholine-2-carboxamide
CID 95739849
(2S)-3-acetyl-2-(2-fluorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one
CID 673032
1-[(2S,3S)-2,3-dimethyl-2,3-dihydroindol-1-yl]ethanone
CID 101425318
1-[2-fluoro-6-[(3S)-3-methylmorpholin-4-yl]phenyl]ethanone
CID 51683134
N'-[2-(2-fluorophenyl)cyclopropyl]morpholine-4-carboximidamide
CID 111101017

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenyl)-5-morpholin-4-yl-2a,3,4,5-tetrahydro-2H-benzo[cd]indol-1-yl]ethanone?
The IUPAC name of 1-[2-(2-fluorophenyl)-5-morpholin-4-yl-2a,3,4,5-tetrahydro-2H-benzo[cd]indol-1-yl]ethanone (CID 19348332) is 1-[2-(2-fluorophenyl)-5-morpholin-4-yl-2a,3,4,5-tetrahydro-2H-benzo[cd]indol-1-yl]ethanone.
What is the SMILES notation for 1-[2-(2-fluorophenyl)-5-morpholin-4-yl-2a,3,4,5-tetrahydro-2H-benzo[cd]indol-1-yl]ethanone?
The canonical SMILES for 1-[2-(2-fluorophenyl)-5-morpholin-4-yl-2a,3,4,5-tetrahydro-2H-benzo[cd]indol-1-yl]ethanone is CC(=O)N1c2cccc3c2C(CCC3N2CCOCC2)C1c1ccccc1F.
What is the InChIKey of 1-[2-(2-fluorophenyl)-5-morpholin-4-yl-2a,3,4,5-tetrahydro-2H-benzo[cd]indol-1-yl]ethanone?
The InChIKey is UKSLHGGYQATVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O2/c1-15(27)26-21-8-4-6-17-20(25-11-13-28-14-12-25)10-9-18(22(17)21)23(26)16-5-2-3-7-19(16)24/h2-8,18,20,23H,9-14H2,1H3.
What are the key properties of 1-[2-(2-fluorophenyl)-5-morpholin-4-yl-2a,3,4,5-tetrahydro-2H-benzo[cd]indol-1-yl]ethanone?
1-[2-(2-fluorophenyl)-5-morpholin-4-yl-2a,3,4,5-tetrahydro-2H-benzo[cd]indol-1-yl]ethanone has a molecular weight of 380.46 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenyl)-5-morpholin-4-yl-2a,3,4,5-tetrahydro-2H-benzo[cd]indol-1-yl]ethanone is sourced from PubChem (CID 19348332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).