3-amino-N-isoquinolin-6-yl-2-[3-(trifluoromethyl)phenyl]propanamide

C19H16F3N3O — CID 127028821

IUPAC3-amino-N-isoquinolin-6-yl-2-[3-(trifluoromethyl)phenyl]propanamide
SMILESNCC(C(=O)Nc1ccc2cnccc2c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H16F3N3O/c20-19(21,22)15-3-1-2-13(8-15)17(10-23)18(26)25-16-5-4-14-11-24-7-6-12(14)9-16/h1-9,11,17H,10,23H2,(H,25,26)
InChIKeyJODGOVYRROPXJL-UHFFFAOYSA-N
MW359.35 g/mol
LogP3.93
Rot. Bonds4

About 3-amino-N-isoquinolin-6-yl-2-[3-(trifluoromethyl)phenyl]propanamide

3-amino-N-isoquinolin-6-yl-2-[3-(trifluoromethyl)phenyl]propanamide (PubChem CID 127028821) has the molecular formula C19H16F3N3O and a molecular weight of 359.35 g/mol. Its IUPAC name is 3-amino-N-isoquinolin-6-yl-2-[3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-amino-N-isoquinolin-6-yl-2-[3-(trifluoromethyl)phenyl]propanamide
PubChem CID127028821
Molecular FormulaC19H16F3N3O
Molecular Weight359.35 g/mol
Exact Mass359.12
IUPAC Name3-amino-N-isoquinolin-6-yl-2-[3-(trifluoromethyl)phenyl]propanamide
SMILESNCC(C(=O)Nc1ccc2cnccc2c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H16F3N3O/c20-19(21,22)15-3-1-2-13(8-15)17(10-23)18(26)25-16-5-4-14-11-24-7-6-12(14)9-16/h1-9,11,17H,10,23H2,(H,25,26)
InChIKeyJODGOVYRROPXJL-UHFFFAOYSA-N
XLogP3.93
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.35
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

AR-13324 M1 metabolite
CID 134128281
4-methyl-3-(2-(quinolin-3-yl)ethynyl)-N-(3-(trifluoromethyl)-phenyl)benzamide
CID 16109040
6-Isoquinolin-4-yl-3,4-dihydroquinolin-2(1H)-one
CID 25147692
Urea, N-5-isoquinolinyl-N'-[2-[3-(trifluoromethyl)phenyl]ethyl]-
CID 9998549
Urea, N-5-isoquinolinyl-N'-[[3-(trifluoromethyl)phenyl]methyl]-
CID 11725098
2,5-dimethyl-6-quinolin-4-yl-3~{H}-quinazolin-4-one
CID 135567454
(2R)-2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide
CID 42639933
3-Amino-n-(isoquinolin-6-yl)-2-phenylpropanamide
CID 46183900
3-amino-2-(4-fluorophenyl)-N-isoquinolin-6-ylpropanamide
CID 46184600
3-amino-N-isoquinolin-6-yl-2-(4-methylphenyl)propanamide
CID 59563759
(rac)-AR-13503
CID 59563782
3-amino-2-(4-chlorophenyl)-N-isoquinolin-6-ylpropanamide
CID 86270887

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-isoquinolin-6-yl-2-[3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-amino-N-isoquinolin-6-yl-2-[3-(trifluoromethyl)phenyl]propanamide (CID 127028821) is 3-amino-N-isoquinolin-6-yl-2-[3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-amino-N-isoquinolin-6-yl-2-[3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-amino-N-isoquinolin-6-yl-2-[3-(trifluoromethyl)phenyl]propanamide is NCC(C(=O)Nc1ccc2cnccc2c1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-amino-N-isoquinolin-6-yl-2-[3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is JODGOVYRROPXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O/c20-19(21,22)15-3-1-2-13(8-15)17(10-23)18(26)25-16-5-4-14-11-24-7-6-12(14)9-16/h1-9,11,17H,10,23H2,(H,25,26).
What are the key properties of 3-amino-N-isoquinolin-6-yl-2-[3-(trifluoromethyl)phenyl]propanamide?
3-amino-N-isoquinolin-6-yl-2-[3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 359.35 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-isoquinolin-6-yl-2-[3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 127028821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).