[3-[2-(dimethylamino)phenyl]-5-fluorophenyl]-(4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone

C24H23FN2O2 — CID 169419483

IUPAC[3-[2-(dimethylamino)phenyl]-5-fluorophenyl]-(4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESCN(C)c1ccccc1-c1cc(F)cc(C(=O)N2Cc3ccccc3C(O)C2)c1
InChIInChI=1S/C24H23FN2O2/c1-26(2)22-10-6-5-8-20(22)17-11-18(13-19(25)12-17)24(29)27-14-16-7-3-4-9-21(16)23(28)15-27/h3-13,23,28H,14-15H2,1-2H3
InChIKeyUCRRFGCIDOSBBO-UHFFFAOYSA-N
MW390.46 g/mol
LogP4.25
Rot. Bonds3

About [3-[2-(dimethylamino)phenyl]-5-fluorophenyl]-(4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone

[3-[2-(dimethylamino)phenyl]-5-fluorophenyl]-(4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone (PubChem CID 169419483) has the molecular formula C24H23FN2O2 and a molecular weight of 390.46 g/mol. Its IUPAC name is [3-[2-(dimethylamino)phenyl]-5-fluorophenyl]-(4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone.

Molecular Properties

Compound Name[3-[2-(dimethylamino)phenyl]-5-fluorophenyl]-(4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
PubChem CID169419483
Molecular FormulaC24H23FN2O2
Molecular Weight390.46 g/mol
Exact Mass390.17
IUPAC Name[3-[2-(dimethylamino)phenyl]-5-fluorophenyl]-(4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESCN(C)c1ccccc1-c1cc(F)cc(C(=O)N2Cc3ccccc3C(O)C2)c1
InChIInChI=1S/C24H23FN2O2/c1-26(2)22-10-6-5-8-20(22)17-11-18(13-19(25)12-17)24(29)27-14-16-7-3-4-9-21(16)23(28)15-27/h3-13,23,28H,14-15H2,1-2H3
InChIKeyUCRRFGCIDOSBBO-UHFFFAOYSA-N
XLogP4.25
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-[2-(dimethylamino)phenyl]-5-fluorophenyl]-(4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone with MolForge

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Related Compounds

1-ethyl-4-[(4R)-4-hydroxy-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyridin-2-one
CID 96575454
[3-[2-(dimethylamino)phenyl]phenyl]-[2-(4-fluorophenyl)morpholin-4-yl]methanone
CID 170503162
(4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(tetrazolo[1,5-a]pyridin-6-yl)methanone
CID 70711621
(3,5-difluorophenyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 3479388
tert-butyl (4R)-4-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 95735407
(4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-[4-[2-(hydroxymethyl)phenyl]naphthalen-1-yl]methanone
CID 175641868
4-[3-[(3R,4S)-3-(dimethylamino)-4-hydroxypiperidine-1-carbonyl]-5-fluorophenyl]-3-hydroxybenzoic acid
CID 170507862
2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1-(4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 70755482
2-[3-(dimethylcarbamoyl)benzoyl]-3,4-dihydro-1H-isoquinoline-4-carboxylic acid
CID 120534017
[4-(3-aminopropoxy)-3-chlorophenyl]-[(4S)-4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 125177872
(2,6-dimethoxy-3-pyridinyl)-(4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 70774986
(5-fluoro-3-pyridinyl)-[(4S)-4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 124883736

Frequently Asked Questions

What is the IUPAC name of [3-[2-(dimethylamino)phenyl]-5-fluorophenyl]-(4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The IUPAC name of [3-[2-(dimethylamino)phenyl]-5-fluorophenyl]-(4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone (CID 169419483) is [3-[2-(dimethylamino)phenyl]-5-fluorophenyl]-(4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone.
What is the SMILES notation for [3-[2-(dimethylamino)phenyl]-5-fluorophenyl]-(4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The canonical SMILES for [3-[2-(dimethylamino)phenyl]-5-fluorophenyl]-(4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone is CN(C)c1ccccc1-c1cc(F)cc(C(=O)N2Cc3ccccc3C(O)C2)c1.
What is the InChIKey of [3-[2-(dimethylamino)phenyl]-5-fluorophenyl]-(4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The InChIKey is UCRRFGCIDOSBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O2/c1-26(2)22-10-6-5-8-20(22)17-11-18(13-19(25)12-17)24(29)27-14-16-7-3-4-9-21(16)23(28)15-27/h3-13,23,28H,14-15H2,1-2H3.
What are the key properties of [3-[2-(dimethylamino)phenyl]-5-fluorophenyl]-(4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
[3-[2-(dimethylamino)phenyl]-5-fluorophenyl]-(4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone has a molecular weight of 390.46 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(dimethylamino)phenyl]-5-fluorophenyl]-(4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone is sourced from PubChem (CID 169419483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).