1-methylimidazole;quinoline;2,2,2-trifluoroacetic acid

C15H14F3N3O2 — CID 174410655

IUPAC1-methylimidazole;quinoline;2,2,2-trifluoroacetic acid
SMILESCn1ccnc1.O=C(O)C(F)(F)F.c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.C4H6N2.C2HF3O2/c1-2-6-9-8(4-1)5-3-7-10-9;1-6-3-2-5-4-6;3-2(4,5)1(6)7/h1-7H;2-4H,1H3;(H,6,7)
InChIKeyFNIIGSLQQGGCGK-UHFFFAOYSA-N
MW325.29 g/mol
LogP3.29
Rot. Bonds

About 1-methylimidazole;quinoline;2,2,2-trifluoroacetic acid

1-methylimidazole;quinoline;2,2,2-trifluoroacetic acid (PubChem CID 174410655) has the molecular formula C15H14F3N3O2 and a molecular weight of 325.29 g/mol. Its IUPAC name is 1-methylimidazole;quinoline;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-methylimidazole;quinoline;2,2,2-trifluoroacetic acid
PubChem CID174410655
Molecular FormulaC15H14F3N3O2
Molecular Weight325.29 g/mol
Exact Mass325.10
IUPAC Name1-methylimidazole;quinoline;2,2,2-trifluoroacetic acid
SMILESCn1ccnc1.O=C(O)C(F)(F)F.c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.C4H6N2.C2HF3O2/c1-2-6-9-8(4-1)5-3-7-10-9;1-6-3-2-5-4-6;3-2(4,5)1(6)7/h1-7H;2-4H,1H3;(H,6,7)
InChIKeyFNIIGSLQQGGCGK-UHFFFAOYSA-N
XLogP3.29
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methylimidazole;quinoline;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-methylimidazole;quinoline;2,2,2-trifluoroacetic acid (CID 174410655) is 1-methylimidazole;quinoline;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-methylimidazole;quinoline;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-methylimidazole;quinoline;2,2,2-trifluoroacetic acid is Cn1ccnc1.O=C(O)C(F)(F)F.c1ccc2ncccc2c1.
What is the InChIKey of 1-methylimidazole;quinoline;2,2,2-trifluoroacetic acid?
The InChIKey is FNIIGSLQQGGCGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N.C4H6N2.C2HF3O2/c1-2-6-9-8(4-1)5-3-7-10-9;1-6-3-2-5-4-6;3-2(4,5)1(6)7/h1-7H;2-4H,1H3;(H,6,7).
What are the key properties of 1-methylimidazole;quinoline;2,2,2-trifluoroacetic acid?
1-methylimidazole;quinoline;2,2,2-trifluoroacetic acid has a molecular weight of 325.29 g/mol, XLogP of 3.29, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylimidazole;quinoline;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 174410655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).