7-bromo-3H-pyrazolo[5,4-c]quinolin-4-amine;2,2,2-trifluoroacetic acid

C12H8BrF3N4O2 — CID 172723336

IUPAC7-bromo-3H-pyrazolo[5,4-c]quinolin-4-amine;2,2,2-trifluoroacetic acid
SMILESNc1nc2cc(Br)ccc2c2cn[nH]c12.O=C(O)C(F)(F)F
InChIInChI=1S/C10H7BrN4.C2HF3O2/c11-5-1-2-6-7-4-13-15-9(7)10(12)14-8(6)3-5;3-2(4,5)1(6)7/h1-4H,(H2,12,14)(H,13,15);(H,6,7)
InChIKeyGUTOGMUDCAKWPS-UHFFFAOYSA-N
MW377.12 g/mol
LogP3.09
Rot. Bonds

About 7-bromo-3H-pyrazolo[5,4-c]quinolin-4-amine;2,2,2-trifluoroacetic acid

7-bromo-3H-pyrazolo[5,4-c]quinolin-4-amine;2,2,2-trifluoroacetic acid (PubChem CID 172723336) has the molecular formula C12H8BrF3N4O2 and a molecular weight of 377.12 g/mol. Its IUPAC name is 7-bromo-3H-pyrazolo[5,4-c]quinolin-4-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name7-bromo-3H-pyrazolo[5,4-c]quinolin-4-amine;2,2,2-trifluoroacetic acid
PubChem CID172723336
Molecular FormulaC12H8BrF3N4O2
Molecular Weight377.12 g/mol
Exact Mass375.98
IUPAC Name7-bromo-3H-pyrazolo[5,4-c]quinolin-4-amine;2,2,2-trifluoroacetic acid
SMILESNc1nc2cc(Br)ccc2c2cn[nH]c12.O=C(O)C(F)(F)F
InChIInChI=1S/C10H7BrN4.C2HF3O2/c11-5-1-2-6-7-4-13-15-9(7)10(12)14-8(6)3-5;3-2(4,5)1(6)7/h1-4H,(H2,12,14)(H,13,15);(H,6,7)
InChIKeyGUTOGMUDCAKWPS-UHFFFAOYSA-N
XLogP3.09
TPSA104.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.12
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-3H-pyrazolo[5,4-c]quinolin-4-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of 7-bromo-3H-pyrazolo[5,4-c]quinolin-4-amine;2,2,2-trifluoroacetic acid (CID 172723336) is 7-bromo-3H-pyrazolo[5,4-c]quinolin-4-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 7-bromo-3H-pyrazolo[5,4-c]quinolin-4-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 7-bromo-3H-pyrazolo[5,4-c]quinolin-4-amine;2,2,2-trifluoroacetic acid is Nc1nc2cc(Br)ccc2c2cn[nH]c12.O=C(O)C(F)(F)F.
What is the InChIKey of 7-bromo-3H-pyrazolo[5,4-c]quinolin-4-amine;2,2,2-trifluoroacetic acid?
The InChIKey is GUTOGMUDCAKWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN4.C2HF3O2/c11-5-1-2-6-7-4-13-15-9(7)10(12)14-8(6)3-5;3-2(4,5)1(6)7/h1-4H,(H2,12,14)(H,13,15);(H,6,7).
What are the key properties of 7-bromo-3H-pyrazolo[5,4-c]quinolin-4-amine;2,2,2-trifluoroacetic acid?
7-bromo-3H-pyrazolo[5,4-c]quinolin-4-amine;2,2,2-trifluoroacetic acid has a molecular weight of 377.12 g/mol, XLogP of 3.09, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3H-pyrazolo[5,4-c]quinolin-4-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 172723336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).