(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(3-fluoro-4-methylphenyl)methanone

C18H17F2NO — CID 86954667

IUPAC(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(3-fluoro-4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCc3ccc(F)cc3C2C)cc1F
InChIInChI=1S/C18H17F2NO/c1-11-3-4-14(9-17(11)20)18(22)21-8-7-13-5-6-15(19)10-16(13)12(21)2/h3-6,9-10,12H,7-8H2,1-2H3
InChIKeyYDXIWQPQNOJOEN-UHFFFAOYSA-N
MW301.34 g/mol
LogP4.03
Rot. Bonds1

About (7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(3-fluoro-4-methylphenyl)methanone

(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(3-fluoro-4-methylphenyl)methanone (PubChem CID 86954667) has the molecular formula C18H17F2NO and a molecular weight of 301.34 g/mol. Its IUPAC name is (7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(3-fluoro-4-methylphenyl)methanone.

Molecular Properties

Compound Name(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(3-fluoro-4-methylphenyl)methanone
PubChem CID86954667
Molecular FormulaC18H17F2NO
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC Name(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(3-fluoro-4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCc3ccc(F)cc3C2C)cc1F
InChIInChI=1S/C18H17F2NO/c1-11-3-4-14(9-17(11)20)18(22)21-8-7-13-5-6-15(19)10-16(13)12(21)2/h3-6,9-10,12H,7-8H2,1-2H3
InChIKeyYDXIWQPQNOJOEN-UHFFFAOYSA-N
XLogP4.03
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(3-fluoro-4-methylphenyl)methanone with MolForge

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Related Compounds

(2,4-difluorophenyl)-(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 86954607
(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methyl-5-nitrophenyl)methanone
CID 86954695
(3,4-dimethylphenyl)-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 59934246
methyl 4-[(1R)-7-fluoro-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyridine-2-carboxylate
CID 96570175
methyl 4-[(1S)-7-fluoro-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyridine-2-carboxylate
CID 96570176
(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(5-methyl-2H-triazol-4-yl)methanone
CID 118766923
6-ethyl-4-(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-pyridin-2-one
CID 74247646
5-[(1S)-7-fluoro-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]-1H-pyrrole-3-carboxamide
CID 96528884
N-(2-cyanoethyl)-4-(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)benzenesulfonamide
CID 86954626
(4,5-dichloro-1-methylpyrrol-2-yl)-(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 86954520
2-(3,4-dimethylphenoxy)-1-(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 86954610
(3-cyclopropylimidazo[4,5-b]pyridin-6-yl)-(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 176505258

Frequently Asked Questions

What is the IUPAC name of (7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(3-fluoro-4-methylphenyl)methanone?
The IUPAC name of (7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(3-fluoro-4-methylphenyl)methanone (CID 86954667) is (7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(3-fluoro-4-methylphenyl)methanone.
What is the SMILES notation for (7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(3-fluoro-4-methylphenyl)methanone?
The canonical SMILES for (7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(3-fluoro-4-methylphenyl)methanone is Cc1ccc(C(=O)N2CCc3ccc(F)cc3C2C)cc1F.
What is the InChIKey of (7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(3-fluoro-4-methylphenyl)methanone?
The InChIKey is YDXIWQPQNOJOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2NO/c1-11-3-4-14(9-17(11)20)18(22)21-8-7-13-5-6-15(19)10-16(13)12(21)2/h3-6,9-10,12H,7-8H2,1-2H3.
What are the key properties of (7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(3-fluoro-4-methylphenyl)methanone?
(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(3-fluoro-4-methylphenyl)methanone has a molecular weight of 301.34 g/mol, XLogP of 4.03, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(3-fluoro-4-methylphenyl)methanone is sourced from PubChem (CID 86954667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).