(3-fluorophenyl)-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone

C17H16FNO2 — CID 110726071

IUPAC(3-fluorophenyl)-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESCOc1ccc2c(c1)CCN(C(=O)c1cccc(F)c1)C2
InChIInChI=1S/C17H16FNO2/c1-21-16-6-5-14-11-19(8-7-12(14)10-16)17(20)13-3-2-4-15(18)9-13/h2-6,9-10H,7-8,11H2,1H3
InChIKeyHVHPQQMMBQYDNL-UHFFFAOYSA-N
MW285.32 g/mol
LogP3.03
Rot. Bonds2

About (3-fluorophenyl)-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone

(3-fluorophenyl)-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone (PubChem CID 110726071) has the molecular formula C17H16FNO2 and a molecular weight of 285.32 g/mol. Its IUPAC name is (3-fluorophenyl)-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
PubChem CID110726071
Molecular FormulaC17H16FNO2
Molecular Weight285.32 g/mol
Exact Mass285.12
IUPAC Name(3-fluorophenyl)-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESCOc1ccc2c(c1)CCN(C(=O)c1cccc(F)c1)C2
InChIInChI=1S/C17H16FNO2/c1-21-16-6-5-14-11-19(8-7-12(14)10-16)17(20)13-3-2-4-15(18)9-13/h2-6,9-10H,7-8,11H2,1H3
InChIKeyHVHPQQMMBQYDNL-UHFFFAOYSA-N
XLogP3.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(6-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)benzonitrile
CID 110726073
(3,5-dimethoxyphenyl)-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110726076
(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-methylphenyl)methanone
CID 110726069
6-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl fluoride
CID 172635030
(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methoxyphenyl)methanone
CID 110726074
(3-fluorophenyl)-[2-(4-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone
CID 50770226
2-(2-fluorophenyl)-1-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 110726106
(3-fluorophenyl)-[6-(2-pyrrolidin-1-ylpyrrolidine-1-carbonyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 71023027
phenyl 6-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 110726098
3-fluoro-N-[4-[5-(3-methoxybenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide
CID 42785137
3-(4-fluorophenyl)-1-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one
CID 110726101
(3,5-difluorophenyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 3479388

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The IUPAC name of (3-fluorophenyl)-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone (CID 110726071) is (3-fluorophenyl)-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone.
What is the SMILES notation for (3-fluorophenyl)-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The canonical SMILES for (3-fluorophenyl)-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone is COc1ccc2c(c1)CCN(C(=O)c1cccc(F)c1)C2.
What is the InChIKey of (3-fluorophenyl)-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The InChIKey is HVHPQQMMBQYDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO2/c1-21-16-6-5-14-11-19(8-7-12(14)10-16)17(20)13-3-2-4-15(18)9-13/h2-6,9-10H,7-8,11H2,1H3.
What are the key properties of (3-fluorophenyl)-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
(3-fluorophenyl)-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone has a molecular weight of 285.32 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone is sourced from PubChem (CID 110726071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).