(6-chloro-8-deuterio-3,4-dihydro-1H-isoquinolin-2-yl)-[2-(trifluoromethyl)morpholin-4-yl]methanone

C15H16ClF3N2O2 — CID 175915720

IUPAC(6-chloro-8-deuterio-3,4-dihydro-1H-isoquinolin-2-yl)-[2-(trifluoromethyl)morpholin-4-yl]methanone
SMILES[2H]c1cc(Cl)cc2c1CN(C(=O)N1CCOC(C(F)(F)F)C1)CC2
InChIInChI=1S/C15H16ClF3N2O2/c16-12-2-1-11-8-20(4-3-10(11)7-12)14(22)21-5-6-23-13(9-21)15(17,18)19/h1-2,7,13H,3-6,8-9H2/i1D
InChIKeyKOAFVXGEHNCJOV-MICDWDOJSA-N
MW349.76 g/mol
LogP3.08
Rot. Bonds

About (6-chloro-8-deuterio-3,4-dihydro-1H-isoquinolin-2-yl)-[2-(trifluoromethyl)morpholin-4-yl]methanone

(6-chloro-8-deuterio-3,4-dihydro-1H-isoquinolin-2-yl)-[2-(trifluoromethyl)morpholin-4-yl]methanone (PubChem CID 175915720) has the molecular formula C15H16ClF3N2O2 and a molecular weight of 349.76 g/mol. Its IUPAC name is (6-chloro-8-deuterio-3,4-dihydro-1H-isoquinolin-2-yl)-[2-(trifluoromethyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(6-chloro-8-deuterio-3,4-dihydro-1H-isoquinolin-2-yl)-[2-(trifluoromethyl)morpholin-4-yl]methanone
PubChem CID175915720
Molecular FormulaC15H16ClF3N2O2
Molecular Weight349.76 g/mol
Exact Mass349.09
IUPAC Name(6-chloro-8-deuterio-3,4-dihydro-1H-isoquinolin-2-yl)-[2-(trifluoromethyl)morpholin-4-yl]methanone
SMILES[2H]c1cc(Cl)cc2c1CN(C(=O)N1CCOC(C(F)(F)F)C1)CC2
InChIInChI=1S/C15H16ClF3N2O2/c16-12-2-1-11-8-20(4-3-10(11)7-12)14(22)21-5-6-23-13(9-21)15(17,18)19/h1-2,7,13H,3-6,8-9H2/i1D
InChIKeyKOAFVXGEHNCJOV-MICDWDOJSA-N
XLogP3.08
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.76
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (6-chloro-8-deuterio-3,4-dihydro-1H-isoquinolin-2-yl)-[2-(trifluoromethyl)morpholin-4-yl]methanone with MolForge

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Related Compounds

(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-[(2S)-2-methylmorpholin-4-yl]methanone
CID 175819870
anthracen-9-yl-[(2S)-2-(trifluoromethyl)morpholin-4-yl]methanone
CID 95539252
1-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethanone
CID 170011529
[2-[(4-chlorophenyl)methyl]phenyl]-[(2R)-2-(trifluoromethyl)morpholin-4-yl]methanone
CID 95399137
2-[4-(hydroxymethyl)phenyl]-1-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethanone
CID 95724984
(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-[(3S)-oxolan-3-yl]methanone
CID 175915760
(2S)-2-[6-chloro-2-[(2S)-2-methylmorpholine-4-carbonyl]-3,4-dihydro-1H-isoquinolin-8-yl]pyrrolidine-1-carboxylic acid
CID 174160562
(8-hydroxyquinolin-7-yl)-[(2R)-2-(trifluoromethyl)morpholin-4-yl]methanone
CID 95555898
4-(6-chloroquinolin-2-yl)-2-(trifluoromethyl)morpholine
CID 56877497
2-(benzylamino)-1-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethanone
CID 95426731
6-(trifluoromethyl)-3-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-2-one
CID 56862466
7-chloro-N-[(1S)-1-[(2R)-4-methylmorpholin-2-yl]ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 97106689

Frequently Asked Questions

What is the IUPAC name of (6-chloro-8-deuterio-3,4-dihydro-1H-isoquinolin-2-yl)-[2-(trifluoromethyl)morpholin-4-yl]methanone?
The IUPAC name of (6-chloro-8-deuterio-3,4-dihydro-1H-isoquinolin-2-yl)-[2-(trifluoromethyl)morpholin-4-yl]methanone (CID 175915720) is (6-chloro-8-deuterio-3,4-dihydro-1H-isoquinolin-2-yl)-[2-(trifluoromethyl)morpholin-4-yl]methanone.
What is the SMILES notation for (6-chloro-8-deuterio-3,4-dihydro-1H-isoquinolin-2-yl)-[2-(trifluoromethyl)morpholin-4-yl]methanone?
The canonical SMILES for (6-chloro-8-deuterio-3,4-dihydro-1H-isoquinolin-2-yl)-[2-(trifluoromethyl)morpholin-4-yl]methanone is [2H]c1cc(Cl)cc2c1CN(C(=O)N1CCOC(C(F)(F)F)C1)CC2.
What is the InChIKey of (6-chloro-8-deuterio-3,4-dihydro-1H-isoquinolin-2-yl)-[2-(trifluoromethyl)morpholin-4-yl]methanone?
The InChIKey is KOAFVXGEHNCJOV-MICDWDOJSA-N. The full InChI is InChI=1S/C15H16ClF3N2O2/c16-12-2-1-11-8-20(4-3-10(11)7-12)14(22)21-5-6-23-13(9-21)15(17,18)19/h1-2,7,13H,3-6,8-9H2/i1D.
What are the key properties of (6-chloro-8-deuterio-3,4-dihydro-1H-isoquinolin-2-yl)-[2-(trifluoromethyl)morpholin-4-yl]methanone?
(6-chloro-8-deuterio-3,4-dihydro-1H-isoquinolin-2-yl)-[2-(trifluoromethyl)morpholin-4-yl]methanone has a molecular weight of 349.76 g/mol, XLogP of 3.08, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-8-deuterio-3,4-dihydro-1H-isoquinolin-2-yl)-[2-(trifluoromethyl)morpholin-4-yl]methanone is sourced from PubChem (CID 175915720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).