N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-quinolin-7-ylethanamine;2,2,2-trifluoroacetic acid

C23H22F3N5O2 — CID 166364426

IUPACN-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-quinolin-7-ylethanamine;2,2,2-trifluoroacetic acid
SMILESCc1nccn1-c1ncccc1CNC(C)c1ccc2cccnc2c1.O=C(O)C(F)(F)F
InChIInChI=1S/C21H21N5.C2HF3O2/c1-15(18-8-7-17-5-3-9-23-20(17)13-18)25-14-19-6-4-10-24-21(19)26-12-11-22-16(26)2;3-2(4,5)1(6)7/h3-13,15,25H,14H2,1-2H3;(H,6,7)
InChIKeyPFFCCLYNGFGDGG-UHFFFAOYSA-N
MW457.46 g/mol
LogP4.61
Rot. Bonds5

About N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-quinolin-7-ylethanamine;2,2,2-trifluoroacetic acid

N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-quinolin-7-ylethanamine;2,2,2-trifluoroacetic acid (PubChem CID 166364426) has the molecular formula C23H22F3N5O2 and a molecular weight of 457.46 g/mol. Its IUPAC name is N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-quinolin-7-ylethanamine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-quinolin-7-ylethanamine;2,2,2-trifluoroacetic acid
PubChem CID166364426
Molecular FormulaC23H22F3N5O2
Molecular Weight457.46 g/mol
Exact Mass457.17
IUPAC NameN-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-quinolin-7-ylethanamine;2,2,2-trifluoroacetic acid
SMILESCc1nccn1-c1ncccc1CNC(C)c1ccc2cccnc2c1.O=C(O)C(F)(F)F
InChIInChI=1S/C21H21N5.C2HF3O2/c1-15(18-8-7-17-5-3-9-23-20(17)13-18)25-14-19-6-4-10-24-21(19)26-12-11-22-16(26)2;3-2(4,5)1(6)7/h3-13,15,25H,14H2,1-2H3;(H,6,7)
InChIKeyPFFCCLYNGFGDGG-UHFFFAOYSA-N
XLogP4.61
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.46
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-quinolin-7-ylethanamine;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]butan-2-amine
CID 130198321
N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-3,3-diphenylpropanamide
CID 60565634
N-ethyl-1-quinolin-7-ylethanamine
CID 81221005
N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 62293470
1-(3-fluoro-4-methylphenyl)-3-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]urea
CID 56818885
N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-propan-2-ylpiperidine-2-carboxamide
CID 154749067
ethyl 3-methyl-2-quinolin-7-ylbutanoate
CID 81224996
2-(2-butan-2-ylphenoxy)-N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]acetamide
CID 60565665
4-hydroxy-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]pentanamide
CID 79203902
N-tert-butyl-2-methyl-3-quinolin-7-ylbutan-1-amine
CID 81223626
1-(4-fluorophenyl)-N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]cyclobutane-1-carboxamide
CID 138996652
cis-(1S,2R)-2-(furan-2-yl)-N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]cyclopropane-1-carboxamide
CID 99845704

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-quinolin-7-ylethanamine;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-quinolin-7-ylethanamine;2,2,2-trifluoroacetic acid (CID 166364426) is N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-quinolin-7-ylethanamine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-quinolin-7-ylethanamine;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-quinolin-7-ylethanamine;2,2,2-trifluoroacetic acid is Cc1nccn1-c1ncccc1CNC(C)c1ccc2cccnc2c1.O=C(O)C(F)(F)F.
What is the InChIKey of N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-quinolin-7-ylethanamine;2,2,2-trifluoroacetic acid?
The InChIKey is PFFCCLYNGFGDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5.C2HF3O2/c1-15(18-8-7-17-5-3-9-23-20(17)13-18)25-14-19-6-4-10-24-21(19)26-12-11-22-16(26)2;3-2(4,5)1(6)7/h3-13,15,25H,14H2,1-2H3;(H,6,7).
What are the key properties of N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-quinolin-7-ylethanamine;2,2,2-trifluoroacetic acid?
N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-quinolin-7-ylethanamine;2,2,2-trifluoroacetic acid has a molecular weight of 457.46 g/mol, XLogP of 4.61, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-quinolin-7-ylethanamine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 166364426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).