(6,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[3-(trifluoromethoxy)phenyl]methanone

C19H18F3NO4 — CID 71040512

IUPAC(6,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[3-(trifluoromethoxy)phenyl]methanone
SMILESCOc1cc2c(c(OC)c1)CN(C(=O)c1cccc(OC(F)(F)F)c1)CC2
InChIInChI=1S/C19H18F3NO4/c1-25-15-8-12-6-7-23(11-16(12)17(10-15)26-2)18(24)13-4-3-5-14(9-13)27-19(20,21)22/h3-5,8-10H,6-7,11H2,1-2H3
InChIKeyKNSSGLYTBHNNGV-UHFFFAOYSA-N
MW381.35 g/mol
LogP3.80
Rot. Bonds4

About (6,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[3-(trifluoromethoxy)phenyl]methanone

(6,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[3-(trifluoromethoxy)phenyl]methanone (PubChem CID 71040512) has the molecular formula C19H18F3NO4 and a molecular weight of 381.35 g/mol. Its IUPAC name is (6,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[3-(trifluoromethoxy)phenyl]methanone.

Molecular Properties

Compound Name(6,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[3-(trifluoromethoxy)phenyl]methanone
PubChem CID71040512
Molecular FormulaC19H18F3NO4
Molecular Weight381.35 g/mol
Exact Mass381.12
IUPAC Name(6,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[3-(trifluoromethoxy)phenyl]methanone
SMILESCOc1cc2c(c(OC)c1)CN(C(=O)c1cccc(OC(F)(F)F)c1)CC2
InChIInChI=1S/C19H18F3NO4/c1-25-15-8-12-6-7-23(11-16(12)17(10-15)26-2)18(24)13-4-3-5-14(9-13)27-19(20,21)22/h3-5,8-10H,6-7,11H2,1-2H3
InChIKeyKNSSGLYTBHNNGV-UHFFFAOYSA-N
XLogP3.80
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.35
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(6,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 71040399
[1-(3,5-dichlorophenyl)-6,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-[3-(trifluoromethoxy)phenyl]methanone
CID 59995955
methyl 3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)benzoate
CID 55754615
(3-fluorophenyl)-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110726071
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-phenylmethanone
CID 780505
azepan-1-yl-(3-methoxyphenyl)methanone
CID 669437
(3,5-dimethoxyphenyl)-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110726076
[(3R)-3-(methylamino)pyrrolidin-1-yl]-[3-(trifluoromethoxy)phenyl]methanone
CID 172646307
[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]urea
CID 26284086
(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-(3-methoxyphenyl)methanone
CID 69267728
3-(6-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)benzonitrile
CID 110726073
4-hydroxy-1-[3-(trifluoromethoxy)benzoyl]piperidine-4-carboxylic acid
CID 120528203

Frequently Asked Questions

What is the IUPAC name of (6,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[3-(trifluoromethoxy)phenyl]methanone?
The IUPAC name of (6,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[3-(trifluoromethoxy)phenyl]methanone (CID 71040512) is (6,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[3-(trifluoromethoxy)phenyl]methanone.
What is the SMILES notation for (6,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[3-(trifluoromethoxy)phenyl]methanone?
The canonical SMILES for (6,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[3-(trifluoromethoxy)phenyl]methanone is COc1cc2c(c(OC)c1)CN(C(=O)c1cccc(OC(F)(F)F)c1)CC2.
What is the InChIKey of (6,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[3-(trifluoromethoxy)phenyl]methanone?
The InChIKey is KNSSGLYTBHNNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3NO4/c1-25-15-8-12-6-7-23(11-16(12)17(10-15)26-2)18(24)13-4-3-5-14(9-13)27-19(20,21)22/h3-5,8-10H,6-7,11H2,1-2H3.
What are the key properties of (6,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[3-(trifluoromethoxy)phenyl]methanone?
(6,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[3-(trifluoromethoxy)phenyl]methanone has a molecular weight of 381.35 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[3-(trifluoromethoxy)phenyl]methanone is sourced from PubChem (CID 71040512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).