N-methyl-1,2,3,4-tetrahydroisoquinoline-7-carboxamide;2,2,2-trifluoroacetic acid

C13H15F3N2O3 — CID 66898299

IUPACN-methyl-1,2,3,4-tetrahydroisoquinoline-7-carboxamide;2,2,2-trifluoroacetic acid
SMILESCNC(=O)c1ccc2c(c1)CNCC2.O=C(O)C(F)(F)F
InChIInChI=1S/C11H14N2O.C2HF3O2/c1-12-11(14)9-3-2-8-4-5-13-7-10(8)6-9;3-2(4,5)1(6)7/h2-3,6,13H,4-5,7H2,1H3,(H,12,14);(H,6,7)
InChIKeySPQBQRSFEIUZAQ-UHFFFAOYSA-N
MW304.27 g/mol
LogP1.33
Rot. Bonds1

About N-methyl-1,2,3,4-tetrahydroisoquinoline-7-carboxamide;2,2,2-trifluoroacetic acid

N-methyl-1,2,3,4-tetrahydroisoquinoline-7-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 66898299) has the molecular formula C13H15F3N2O3 and a molecular weight of 304.27 g/mol. Its IUPAC name is N-methyl-1,2,3,4-tetrahydroisoquinoline-7-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-methyl-1,2,3,4-tetrahydroisoquinoline-7-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID66898299
Molecular FormulaC13H15F3N2O3
Molecular Weight304.27 g/mol
Exact Mass304.10
IUPAC NameN-methyl-1,2,3,4-tetrahydroisoquinoline-7-carboxamide;2,2,2-trifluoroacetic acid
SMILESCNC(=O)c1ccc2c(c1)CNCC2.O=C(O)C(F)(F)F
InChIInChI=1S/C11H14N2O.C2HF3O2/c1-12-11(14)9-3-2-8-4-5-13-7-10(8)6-9;3-2(4,5)1(6)7/h2-3,6,13H,4-5,7H2,1H3,(H,12,14);(H,6,7)
InChIKeySPQBQRSFEIUZAQ-UHFFFAOYSA-N
XLogP1.33
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1,2,3,4-tetrahydroisoquinoline;2,2,2-trifluoroacetic acid
CID 67161114
bis(1,2,3,4-tetrahydroisoquinoline);bis(2,2,2-trifluoroacetic acid)
CID 171932237
methyl 1,2,3,4-tetrahydroisoquinoline-7-carboxylate
CID 10656920
N-(1-hydroxy-2-methylpropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-6-carboxamide
CID 110489043
N-(4-hydroxy-2,2-dimethylbutyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
CID 106148075
N-hydroxy-2,3,4,5-tetrahydro-1,4-benzoxazepine-8-carboxamide;2,2,2-trifluoroacetic acid
CID 122438006
N-(2-hydroxy-2-methylpentyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
CID 106292129
2-[4-[(2S)-2-(1,2,3,4-tetrahydroisoquinoline-6-carbonylamino)propanoyl]phenoxy]acetic acid;2,2,2-trifluoroacetic acid
CID 67570146
N-[2-(1,3-thiazol-2-yl)propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
CID 105056224
1,2,3,4-tetrahydroisoquinoline-7-carboxamide;hydrochloride
CID 121334078
N-methyl-7,8-didehydro-5,6,9,10-tetrahydrobenzo[8]annulene-3-carboxamide
CID 178014437
4-(2,3-dihydro-1H-isoindole-5-carbonylamino)benzoic acid
CID 115866991

Frequently Asked Questions

What is the IUPAC name of N-methyl-1,2,3,4-tetrahydroisoquinoline-7-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-methyl-1,2,3,4-tetrahydroisoquinoline-7-carboxamide;2,2,2-trifluoroacetic acid (CID 66898299) is N-methyl-1,2,3,4-tetrahydroisoquinoline-7-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-methyl-1,2,3,4-tetrahydroisoquinoline-7-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-methyl-1,2,3,4-tetrahydroisoquinoline-7-carboxamide;2,2,2-trifluoroacetic acid is CNC(=O)c1ccc2c(c1)CNCC2.O=C(O)C(F)(F)F.
What is the InChIKey of N-methyl-1,2,3,4-tetrahydroisoquinoline-7-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is SPQBQRSFEIUZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O.C2HF3O2/c1-12-11(14)9-3-2-8-4-5-13-7-10(8)6-9;3-2(4,5)1(6)7/h2-3,6,13H,4-5,7H2,1H3,(H,12,14);(H,6,7).
What are the key properties of N-methyl-1,2,3,4-tetrahydroisoquinoline-7-carboxamide;2,2,2-trifluoroacetic acid?
N-methyl-1,2,3,4-tetrahydroisoquinoline-7-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 304.27 g/mol, XLogP of 1.33, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1,2,3,4-tetrahydroisoquinoline-7-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 66898299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).