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

C19H18F3NO3 — CID 71040399

IUPAC(6,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[3-(trifluoromethyl)phenyl]methanone
SMILESCOc1cc2c(c(OC)c1)CN(C(=O)c1cccc(C(F)(F)F)c1)CC2
InChIInChI=1S/C19H18F3NO3/c1-25-15-9-12-6-7-23(11-16(12)17(10-15)26-2)18(24)13-4-3-5-14(8-13)19(20,21)22/h3-5,8-10H,6-7,11H2,1-2H3
InChIKeyMTGDDCQTEFQBML-UHFFFAOYSA-N
MW365.35 g/mol
LogP3.92
Rot. Bonds3

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

(6,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[3-(trifluoromethyl)phenyl]methanone (PubChem CID 71040399) has the molecular formula C19H18F3NO3 and a molecular weight of 365.35 g/mol. Its IUPAC name is (6,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(6,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[3-(trifluoromethyl)phenyl]methanone
PubChem CID71040399
Molecular FormulaC19H18F3NO3
Molecular Weight365.35 g/mol
Exact Mass365.12
IUPAC Name(6,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[3-(trifluoromethyl)phenyl]methanone
SMILESCOc1cc2c(c(OC)c1)CN(C(=O)c1cccc(C(F)(F)F)c1)CC2
InChIInChI=1S/C19H18F3NO3/c1-25-15-9-12-6-7-23(11-16(12)17(10-15)26-2)18(24)13-4-3-5-14(8-13)19(20,21)22/h3-5,8-10H,6-7,11H2,1-2H3
InChIKeyMTGDDCQTEFQBML-UHFFFAOYSA-N
XLogP3.92
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.35
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(6,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[3-(trifluoromethoxy)phenyl]methanone
CID 71040512
3,5-dimethoxy-N-[4-[5-[3-(trifluoromethyl)benzoyl]-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide
CID 5186676
1-[3-(trifluoromethyl)benzoyl]piperidin-4-one
CID 3815225
1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 8871575
(3-fluorophenyl)-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110726071
methyl 3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)benzoate
CID 55754615
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-phenylmethanone
CID 780505
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[3-(methoxymethyl)phenyl]methanone
CID 38209435
2-methoxy-N-[3-[5-[3-(trifluoromethyl)benzoyl]-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide
CID 4684067
[4-(2-methoxyphenoxy)-2-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 46073236
[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]urea
CID 26284086
(6,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(5-methylsulfonyl-2-propan-2-yloxyphenyl)methanone
CID 58677888

Frequently Asked Questions

What is the IUPAC name of (6,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (6,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[3-(trifluoromethyl)phenyl]methanone (CID 71040399) is (6,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (6,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (6,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[3-(trifluoromethyl)phenyl]methanone is COc1cc2c(c(OC)c1)CN(C(=O)c1cccc(C(F)(F)F)c1)CC2.
What is the InChIKey of (6,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[3-(trifluoromethyl)phenyl]methanone?
The InChIKey is MTGDDCQTEFQBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3NO3/c1-25-15-9-12-6-7-23(11-16(12)17(10-15)26-2)18(24)13-4-3-5-14(8-13)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-(trifluoromethyl)phenyl]methanone?
(6,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[3-(trifluoromethyl)phenyl]methanone has a molecular weight of 365.35 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 71040399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).