7-bromo-4-methylpyrazolo[1,5-a]quinoline

C12H9BrN2 — CID 177334866

IUPAC7-bromo-4-methylpyrazolo[1,5-a]quinoline
SMILESCc1cc2cc(Br)ccc2n2nccc12
InChIInChI=1S/C12H9BrN2/c1-8-6-9-7-10(13)2-3-12(9)15-11(8)4-5-14-15/h2-7H,1H3
InChIKeyRFVISFWGDHKVCK-UHFFFAOYSA-N
MW261.12 g/mol
LogP3.56
Rot. Bonds

About 7-bromo-4-methylpyrazolo[1,5-a]quinoline

7-bromo-4-methylpyrazolo[1,5-a]quinoline (PubChem CID 177334866) has the molecular formula C12H9BrN2 and a molecular weight of 261.12 g/mol. Its IUPAC name is 7-bromo-4-methylpyrazolo[1,5-a]quinoline.

Molecular Properties

Compound Name7-bromo-4-methylpyrazolo[1,5-a]quinoline
PubChem CID177334866
Molecular FormulaC12H9BrN2
Molecular Weight261.12 g/mol
Exact Mass259.99
IUPAC Name7-bromo-4-methylpyrazolo[1,5-a]quinoline
SMILESCc1cc2cc(Br)ccc2n2nccc12
InChIInChI=1S/C12H9BrN2/c1-8-6-9-7-10(13)2-3-12(9)15-11(8)4-5-14-15/h2-7H,1H3
InChIKeyRFVISFWGDHKVCK-UHFFFAOYSA-N
XLogP3.56
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.12
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-dibromo-3-methylquinoline
CID 39423757
(5-bromo-2-methylindol-1-yl)-phenylmethanone
CID 67901223
2,7-dibromo-5-methylindolo[3,2-b]quinoline
CID 10023257
5-bromo-1-methylsulfonylindazole
CID 167427897
1-(5-bromoindazol-1-yl)ethanone
CID 15278610
6-bromo-3-methylchromen-2-one
CID 14956088
2,6-dibromonaphthalene
CID 640591
5-bromo-1-(4-methylphenyl)sulfonylindazole
CID 58137189
2-bromo-4,7-dimethylpyrazolo[1,5-a]pyridine
CID 130065935
(6-bromoindazol-1-yl)thallium
CID 165138611
6-bromo-1-methylisoquinoline
CID 74889121
5-bromo-2-ethyl-1-methylbenzimidazole
CID 84701099

Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-methylpyrazolo[1,5-a]quinoline?
The IUPAC name of 7-bromo-4-methylpyrazolo[1,5-a]quinoline (CID 177334866) is 7-bromo-4-methylpyrazolo[1,5-a]quinoline.
What is the SMILES notation for 7-bromo-4-methylpyrazolo[1,5-a]quinoline?
The canonical SMILES for 7-bromo-4-methylpyrazolo[1,5-a]quinoline is Cc1cc2cc(Br)ccc2n2nccc12.
What is the InChIKey of 7-bromo-4-methylpyrazolo[1,5-a]quinoline?
The InChIKey is RFVISFWGDHKVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN2/c1-8-6-9-7-10(13)2-3-12(9)15-11(8)4-5-14-15/h2-7H,1H3.
What are the key properties of 7-bromo-4-methylpyrazolo[1,5-a]quinoline?
7-bromo-4-methylpyrazolo[1,5-a]quinoline has a molecular weight of 261.12 g/mol, XLogP of 3.56, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4-methylpyrazolo[1,5-a]quinoline is sourced from PubChem (CID 177334866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).