1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(6-fluoro-2H-indazol-3-yl)propan-2-one

C19H18FN3O — CID 22914823

IUPAC1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(6-fluoro-2H-indazol-3-yl)propan-2-one
SMILESCC(=O)C(c1[nH]nc2cc(F)ccc12)N1CCc2ccccc2C1
InChIInChI=1S/C19H18FN3O/c1-12(24)19(18-16-7-6-15(20)10-17(16)21-22-18)23-9-8-13-4-2-3-5-14(13)11-23/h2-7,10,19H,8-9,11H2,1H3,(H,21,22)
InChIKeyXDQYQUKNVZVPRO-UHFFFAOYSA-N
MW323.37 g/mol
LogP3.39
Rot. Bonds3

About 1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(6-fluoro-2H-indazol-3-yl)propan-2-one

1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(6-fluoro-2H-indazol-3-yl)propan-2-one (PubChem CID 22914823) has the molecular formula C19H18FN3O and a molecular weight of 323.37 g/mol. Its IUPAC name is 1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(6-fluoro-2H-indazol-3-yl)propan-2-one.

Molecular Properties

Compound Name1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(6-fluoro-2H-indazol-3-yl)propan-2-one
PubChem CID22914823
Molecular FormulaC19H18FN3O
Molecular Weight323.37 g/mol
Exact Mass323.14
IUPAC Name1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(6-fluoro-2H-indazol-3-yl)propan-2-one
SMILESCC(=O)C(c1[nH]nc2cc(F)ccc12)N1CCc2ccccc2C1
InChIInChI=1S/C19H18FN3O/c1-12(24)19(18-16-7-6-15(20)10-17(16)21-22-18)23-9-8-13-4-2-3-5-14(13)11-23/h2-7,10,19H,8-9,11H2,1H3,(H,21,22)
InChIKeyXDQYQUKNVZVPRO-UHFFFAOYSA-N
XLogP3.39
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(6-fluoro-2H-indazol-3-yl)propan-2-one with MolForge

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Related Compounds

N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-4-fluorobenzamide
CID 32923012
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 46508539
N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-2,4-difluorobenzamide
CID 37184370
2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-fluoro-2-methylphenyl)ethanamine
CID 62136658
methyl 2-(2-chlorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetate
CID 42891094
2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-methylphenyl)acetamide
CID 90085245
3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylbutanoic acid
CID 79406087
2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-hydroxyphenyl)acetic acid
CID 84747211
N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 32919875
(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide
CID 95980822
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-5-methyl-1H-indazole-3-carboxamide
CID 78866195
methyl (2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanoate
CID 51886799

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(6-fluoro-2H-indazol-3-yl)propan-2-one?
The IUPAC name of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(6-fluoro-2H-indazol-3-yl)propan-2-one (CID 22914823) is 1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(6-fluoro-2H-indazol-3-yl)propan-2-one.
What is the SMILES notation for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(6-fluoro-2H-indazol-3-yl)propan-2-one?
The canonical SMILES for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(6-fluoro-2H-indazol-3-yl)propan-2-one is CC(=O)C(c1[nH]nc2cc(F)ccc12)N1CCc2ccccc2C1.
What is the InChIKey of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(6-fluoro-2H-indazol-3-yl)propan-2-one?
The InChIKey is XDQYQUKNVZVPRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O/c1-12(24)19(18-16-7-6-15(20)10-17(16)21-22-18)23-9-8-13-4-2-3-5-14(13)11-23/h2-7,10,19H,8-9,11H2,1H3,(H,21,22).
What are the key properties of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(6-fluoro-2H-indazol-3-yl)propan-2-one?
1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(6-fluoro-2H-indazol-3-yl)propan-2-one has a molecular weight of 323.37 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(6-fluoro-2H-indazol-3-yl)propan-2-one is sourced from PubChem (CID 22914823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).