[1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(1H-indol-7-yl)methanone

C24H19FN2O — CID 46095679

IUPAC[1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(1H-indol-7-yl)methanone
SMILESO=C(c1cccc2cc[nH]c12)N1CCc2ccccc2C1c1ccc(F)cc1
InChIInChI=1S/C24H19FN2O/c25-19-10-8-18(9-11-19)23-20-6-2-1-4-16(20)13-15-27(23)24(28)21-7-3-5-17-12-14-26-22(17)21/h1-12,14,23,26H,13,15H2
InChIKeyZLOCTWDSELDXPV-UHFFFAOYSA-N
MW370.43 g/mol
LogP5.09
Rot. Bonds2

About [1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(1H-indol-7-yl)methanone

[1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(1H-indol-7-yl)methanone (PubChem CID 46095679) has the molecular formula C24H19FN2O and a molecular weight of 370.43 g/mol. Its IUPAC name is [1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(1H-indol-7-yl)methanone.

Molecular Properties

Compound Name[1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(1H-indol-7-yl)methanone
PubChem CID46095679
Molecular FormulaC24H19FN2O
Molecular Weight370.43 g/mol
Exact Mass370.15
IUPAC Name[1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(1H-indol-7-yl)methanone
SMILESO=C(c1cccc2cc[nH]c12)N1CCc2ccccc2C1c1ccc(F)cc1
InChIInChI=1S/C24H19FN2O/c25-19-10-8-18(9-11-19)23-20-6-2-1-4-16(20)13-15-27(23)24(28)21-7-3-5-17-12-14-26-22(17)21/h1-12,14,23,26H,13,15H2
InChIKeyZLOCTWDSELDXPV-UHFFFAOYSA-N
XLogP5.09
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.43
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1H-indol-7-yl-[1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 46095669
[1-(4-chlorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(2-fluorophenyl)methanone
CID 46095577
(3,4-difluorophenyl)-[1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 46095527
(2,5-difluorophenyl)-[(1S)-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 92768096
2-chloro-1-[1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
CID 155390479
ethane;1-[1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]propane-1,2-dione
CID 170615705
1,3-dioxan-2-yl-[(1S)-1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 167111442
(2,2,2-trifluoroacetyl) (1S)-1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 155390478
[1-(4-fluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-naphthalen-1-ylmethanone
CID 46095261
ethyl 1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 21266263
[(2S)-3,6-dihydro-2H-pyran-2-yl]-[(1S)-1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 163401898
[1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(2,3,4,5,6-pentafluorophenyl)methanone
CID 46095510

Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(1H-indol-7-yl)methanone?
The IUPAC name of [1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(1H-indol-7-yl)methanone (CID 46095679) is [1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(1H-indol-7-yl)methanone.
What is the SMILES notation for [1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(1H-indol-7-yl)methanone?
The canonical SMILES for [1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(1H-indol-7-yl)methanone is O=C(c1cccc2cc[nH]c12)N1CCc2ccccc2C1c1ccc(F)cc1.
What is the InChIKey of [1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(1H-indol-7-yl)methanone?
The InChIKey is ZLOCTWDSELDXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN2O/c25-19-10-8-18(9-11-19)23-20-6-2-1-4-16(20)13-15-27(23)24(28)21-7-3-5-17-12-14-26-22(17)21/h1-12,14,23,26H,13,15H2.
What are the key properties of [1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(1H-indol-7-yl)methanone?
[1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(1H-indol-7-yl)methanone has a molecular weight of 370.43 g/mol, XLogP of 5.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(1H-indol-7-yl)methanone is sourced from PubChem (CID 46095679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).