1-(3-bromo-4-quinolin-3-ylindazol-1-yl)-2-methylpropan-2-ol

C20H18BrN3O — CID 174659233

IUPAC1-(3-bromo-4-quinolin-3-ylindazol-1-yl)-2-methylpropan-2-ol
SMILESCC(C)(O)Cn1nc(Br)c2c(-c3cnc4ccccc4c3)cccc21
InChIInChI=1S/C20H18BrN3O/c1-20(2,25)12-24-17-9-5-7-15(18(17)19(21)23-24)14-10-13-6-3-4-8-16(13)22-11-14/h3-11,25H,12H2,1-2H3
InChIKeyFTMMSFFZVUOHMP-UHFFFAOYSA-N
MW396.29 g/mol
LogP4.78
Rot. Bonds3

About 1-(3-bromo-4-quinolin-3-ylindazol-1-yl)-2-methylpropan-2-ol

1-(3-bromo-4-quinolin-3-ylindazol-1-yl)-2-methylpropan-2-ol (PubChem CID 174659233) has the molecular formula C20H18BrN3O and a molecular weight of 396.29 g/mol. Its IUPAC name is 1-(3-bromo-4-quinolin-3-ylindazol-1-yl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(3-bromo-4-quinolin-3-ylindazol-1-yl)-2-methylpropan-2-ol
PubChem CID174659233
Molecular FormulaC20H18BrN3O
Molecular Weight396.29 g/mol
Exact Mass395.06
IUPAC Name1-(3-bromo-4-quinolin-3-ylindazol-1-yl)-2-methylpropan-2-ol
SMILESCC(C)(O)Cn1nc(Br)c2c(-c3cnc4ccccc4c3)cccc21
InChIInChI=1S/C20H18BrN3O/c1-20(2,25)12-24-17-9-5-7-15(18(17)19(21)23-24)14-10-13-6-3-4-8-16(13)22-11-14/h3-11,25H,12H2,1-2H3
InChIKeyFTMMSFFZVUOHMP-UHFFFAOYSA-N
XLogP4.78
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.29
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-quinolin-3-ylindazol-1-yl)-2-methylpropan-2-ol?
The IUPAC name of 1-(3-bromo-4-quinolin-3-ylindazol-1-yl)-2-methylpropan-2-ol (CID 174659233) is 1-(3-bromo-4-quinolin-3-ylindazol-1-yl)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(3-bromo-4-quinolin-3-ylindazol-1-yl)-2-methylpropan-2-ol?
The canonical SMILES for 1-(3-bromo-4-quinolin-3-ylindazol-1-yl)-2-methylpropan-2-ol is CC(C)(O)Cn1nc(Br)c2c(-c3cnc4ccccc4c3)cccc21.
What is the InChIKey of 1-(3-bromo-4-quinolin-3-ylindazol-1-yl)-2-methylpropan-2-ol?
The InChIKey is FTMMSFFZVUOHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrN3O/c1-20(2,25)12-24-17-9-5-7-15(18(17)19(21)23-24)14-10-13-6-3-4-8-16(13)22-11-14/h3-11,25H,12H2,1-2H3.
What are the key properties of 1-(3-bromo-4-quinolin-3-ylindazol-1-yl)-2-methylpropan-2-ol?
1-(3-bromo-4-quinolin-3-ylindazol-1-yl)-2-methylpropan-2-ol has a molecular weight of 396.29 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-quinolin-3-ylindazol-1-yl)-2-methylpropan-2-ol is sourced from PubChem (CID 174659233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).