5-(4-bromo-2-fluorophenoxy)-2-methylpyrazolo[1,5-a]quinazoline

C17H11BrFN3O — CID 8853006

IUPAC5-(4-bromo-2-fluorophenoxy)-2-methylpyrazolo[1,5-a]quinazoline
SMILESCc1cc2nc(Oc3ccc(Br)cc3F)c3ccccc3n2n1
InChIInChI=1S/C17H11BrFN3O/c1-10-8-16-20-17(23-15-7-6-11(18)9-13(15)19)12-4-2-3-5-14(12)22(16)21-10/h2-9H,1H3
InChIKeyRAXBFJMZRXARBO-UHFFFAOYSA-N
MW372.20 g/mol
LogP4.88
Rot. Bonds2

About 5-(4-bromo-2-fluorophenoxy)-2-methylpyrazolo[1,5-a]quinazoline

5-(4-bromo-2-fluorophenoxy)-2-methylpyrazolo[1,5-a]quinazoline (PubChem CID 8853006) has the molecular formula C17H11BrFN3O and a molecular weight of 372.20 g/mol. Its IUPAC name is 5-(4-bromo-2-fluorophenoxy)-2-methylpyrazolo[1,5-a]quinazoline.

Molecular Properties

Compound Name5-(4-bromo-2-fluorophenoxy)-2-methylpyrazolo[1,5-a]quinazoline
PubChem CID8853006
Molecular FormulaC17H11BrFN3O
Molecular Weight372.20 g/mol
Exact Mass371.01
IUPAC Name5-(4-bromo-2-fluorophenoxy)-2-methylpyrazolo[1,5-a]quinazoline
SMILESCc1cc2nc(Oc3ccc(Br)cc3F)c3ccccc3n2n1
InChIInChI=1S/C17H11BrFN3O/c1-10-8-16-20-17(23-15-7-6-11(18)9-13(15)19)12-4-2-3-5-14(12)22(16)21-10/h2-9H,1H3
InChIKeyRAXBFJMZRXARBO-UHFFFAOYSA-N
XLogP4.88
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.20
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-5-(4-propoxyphenoxy)pyrazolo[1,5-a]quinazoline
CID 8852811
4-(4-bromo-2-fluorophenoxy)-N-methylquinazolin-2-amine
CID 80874999
2-(4-bromo-2-fluorophenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 43478038
2-methyl-5-(naphthalen-2-ylmethoxy)pyrazolo[1,5-a]quinazoline
CID 172815886
5-(4-fluorophenyl)sulfanyl-2-methylpyrazolo[1,5-a]quinazoline
CID 8850833
N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine
CID 8890761
N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine
CID 94874302
[2-(4-bromo-2-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]methanamine
CID 61175759
N-[(2-methoxyphenyl)methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine
CID 8850825
N-[2-(3,4-difluorophenyl)cyclopropyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine
CID 177262940
5-(4-bromo-2-fluorophenoxy)-3-methylisoquinolin-8-amine
CID 102713808
2-methyl-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]quinazolin-5-amine
CID 8892490

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-2-fluorophenoxy)-2-methylpyrazolo[1,5-a]quinazoline?
The IUPAC name of 5-(4-bromo-2-fluorophenoxy)-2-methylpyrazolo[1,5-a]quinazoline (CID 8853006) is 5-(4-bromo-2-fluorophenoxy)-2-methylpyrazolo[1,5-a]quinazoline.
What is the SMILES notation for 5-(4-bromo-2-fluorophenoxy)-2-methylpyrazolo[1,5-a]quinazoline?
The canonical SMILES for 5-(4-bromo-2-fluorophenoxy)-2-methylpyrazolo[1,5-a]quinazoline is Cc1cc2nc(Oc3ccc(Br)cc3F)c3ccccc3n2n1.
What is the InChIKey of 5-(4-bromo-2-fluorophenoxy)-2-methylpyrazolo[1,5-a]quinazoline?
The InChIKey is RAXBFJMZRXARBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrFN3O/c1-10-8-16-20-17(23-15-7-6-11(18)9-13(15)19)12-4-2-3-5-14(12)22(16)21-10/h2-9H,1H3.
What are the key properties of 5-(4-bromo-2-fluorophenoxy)-2-methylpyrazolo[1,5-a]quinazoline?
5-(4-bromo-2-fluorophenoxy)-2-methylpyrazolo[1,5-a]quinazoline has a molecular weight of 372.20 g/mol, XLogP of 4.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-2-fluorophenoxy)-2-methylpyrazolo[1,5-a]quinazoline is sourced from PubChem (CID 8853006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).