N-(2-methoxyphenyl)-1-[3-(trifluoromethyl)anilino]isoquinoline-4-carboxamide

C24H18F3N3O2 — CID 53316547

IUPACN-(2-methoxyphenyl)-1-[3-(trifluoromethyl)anilino]isoquinoline-4-carboxamide
SMILESCOc1ccccc1NC(=O)c1cnc(Nc2cccc(C(F)(F)F)c2)c2ccccc12
InChIInChI=1S/C24H18F3N3O2/c1-32-21-12-5-4-11-20(21)30-23(31)19-14-28-22(18-10-3-2-9-17(18)19)29-16-8-6-7-15(13-16)24(25,26)27/h2-14H,1H3,(H,28,29)(H,30,31)
InChIKeyILGRAJKRIVZWIH-UHFFFAOYSA-N
MW437.42 g/mol
LogP6.26
Rot. Bonds5

About N-(2-methoxyphenyl)-1-[3-(trifluoromethyl)anilino]isoquinoline-4-carboxamide

N-(2-methoxyphenyl)-1-[3-(trifluoromethyl)anilino]isoquinoline-4-carboxamide (PubChem CID 53316547) has the molecular formula C24H18F3N3O2 and a molecular weight of 437.42 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-1-[3-(trifluoromethyl)anilino]isoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-1-[3-(trifluoromethyl)anilino]isoquinoline-4-carboxamide
PubChem CID53316547
Molecular FormulaC24H18F3N3O2
Molecular Weight437.42 g/mol
Exact Mass437.14
IUPAC NameN-(2-methoxyphenyl)-1-[3-(trifluoromethyl)anilino]isoquinoline-4-carboxamide
SMILESCOc1ccccc1NC(=O)c1cnc(Nc2cccc(C(F)(F)F)c2)c2ccccc12
InChIInChI=1S/C24H18F3N3O2/c1-32-21-12-5-4-11-20(21)30-23(31)19-14-28-22(18-10-3-2-9-17(18)19)29-16-8-6-7-15(13-16)24(25,26)27/h2-14H,1H3,(H,28,29)(H,30,31)
InChIKeyILGRAJKRIVZWIH-UHFFFAOYSA-N
XLogP6.26
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.42
LogP ≤ 56.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyphenyl)-2-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
CID 109269412
N-(2-methoxyphenyl)-2-[[3-(trifluoromethyl)benzoyl]amino]benzamide
CID 8873512
(2-methoxyphenyl) 2-[3-(trifluoromethyl)anilino]benzoate
CID 11596190
5-fluoro-2-methoxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 34754187
2-methoxy-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 110860867
2-(2-methoxyethoxy)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 56593348
2-methoxy-N-[4-methyl-2-[3-(trifluoromethyl)anilino]quinolin-6-yl]benzamide
CID 46276156
1-[4-[(4-methoxyacridin-9-yl)amino]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 127037355
[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl] hypobromite
CID 150746432
N-isoquinolin-4-yl-2-methoxy-5-(trifluoromethyl)benzamide
CID 166085769
1-amino-N-[6-methyl-1-[3-(trifluoromethyl)anilino]isoquinolin-5-yl]isoquinoline-5-carboxamide
CID 118090798
3-[[2-(2-methoxyanilino)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54817220

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-1-[3-(trifluoromethyl)anilino]isoquinoline-4-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-1-[3-(trifluoromethyl)anilino]isoquinoline-4-carboxamide (CID 53316547) is N-(2-methoxyphenyl)-1-[3-(trifluoromethyl)anilino]isoquinoline-4-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-1-[3-(trifluoromethyl)anilino]isoquinoline-4-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-1-[3-(trifluoromethyl)anilino]isoquinoline-4-carboxamide is COc1ccccc1NC(=O)c1cnc(Nc2cccc(C(F)(F)F)c2)c2ccccc12.
What is the InChIKey of N-(2-methoxyphenyl)-1-[3-(trifluoromethyl)anilino]isoquinoline-4-carboxamide?
The InChIKey is ILGRAJKRIVZWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N3O2/c1-32-21-12-5-4-11-20(21)30-23(31)19-14-28-22(18-10-3-2-9-17(18)19)29-16-8-6-7-15(13-16)24(25,26)27/h2-14H,1H3,(H,28,29)(H,30,31).
What are the key properties of N-(2-methoxyphenyl)-1-[3-(trifluoromethyl)anilino]isoquinoline-4-carboxamide?
N-(2-methoxyphenyl)-1-[3-(trifluoromethyl)anilino]isoquinoline-4-carboxamide has a molecular weight of 437.42 g/mol, XLogP of 6.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-1-[3-(trifluoromethyl)anilino]isoquinoline-4-carboxamide is sourced from PubChem (CID 53316547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).