4-[3-[(4-bromopyrazol-1-yl)methyl]azetidin-1-yl]-6-methoxyquinoline

C17H17BrN4O — CID 154575981

IUPAC4-[3-[(4-bromopyrazol-1-yl)methyl]azetidin-1-yl]-6-methoxyquinoline
SMILESCOc1ccc2nccc(N3CC(Cn4cc(Br)cn4)C3)c2c1
InChIInChI=1S/C17H17BrN4O/c1-23-14-2-3-16-15(6-14)17(4-5-19-16)21-8-12(9-21)10-22-11-13(18)7-20-22/h2-7,11-12H,8-10H2,1H3
InChIKeyLUSRPMATVPUKMH-UHFFFAOYSA-N
MW373.25 g/mol
LogP3.34
Rot. Bonds4

About 4-[3-[(4-bromopyrazol-1-yl)methyl]azetidin-1-yl]-6-methoxyquinoline

4-[3-[(4-bromopyrazol-1-yl)methyl]azetidin-1-yl]-6-methoxyquinoline (PubChem CID 154575981) has the molecular formula C17H17BrN4O and a molecular weight of 373.25 g/mol. Its IUPAC name is 4-[3-[(4-bromopyrazol-1-yl)methyl]azetidin-1-yl]-6-methoxyquinoline.

Molecular Properties

Compound Name4-[3-[(4-bromopyrazol-1-yl)methyl]azetidin-1-yl]-6-methoxyquinoline
PubChem CID154575981
Molecular FormulaC17H17BrN4O
Molecular Weight373.25 g/mol
Exact Mass372.06
IUPAC Name4-[3-[(4-bromopyrazol-1-yl)methyl]azetidin-1-yl]-6-methoxyquinoline
SMILESCOc1ccc2nccc(N3CC(Cn4cc(Br)cn4)C3)c2c1
InChIInChI=1S/C17H17BrN4O/c1-23-14-2-3-16-15(6-14)17(4-5-19-16)21-8-12(9-21)10-22-11-13(18)7-20-22/h2-7,11-12H,8-10H2,1H3
InChIKeyLUSRPMATVPUKMH-UHFFFAOYSA-N
XLogP3.34
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.25
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[(4-bromopyrazol-1-yl)methyl]azetidin-1-yl]-6-methoxyquinoline?
The IUPAC name of 4-[3-[(4-bromopyrazol-1-yl)methyl]azetidin-1-yl]-6-methoxyquinoline (CID 154575981) is 4-[3-[(4-bromopyrazol-1-yl)methyl]azetidin-1-yl]-6-methoxyquinoline.
What is the SMILES notation for 4-[3-[(4-bromopyrazol-1-yl)methyl]azetidin-1-yl]-6-methoxyquinoline?
The canonical SMILES for 4-[3-[(4-bromopyrazol-1-yl)methyl]azetidin-1-yl]-6-methoxyquinoline is COc1ccc2nccc(N3CC(Cn4cc(Br)cn4)C3)c2c1.
What is the InChIKey of 4-[3-[(4-bromopyrazol-1-yl)methyl]azetidin-1-yl]-6-methoxyquinoline?
The InChIKey is LUSRPMATVPUKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN4O/c1-23-14-2-3-16-15(6-14)17(4-5-19-16)21-8-12(9-21)10-22-11-13(18)7-20-22/h2-7,11-12H,8-10H2,1H3.
What are the key properties of 4-[3-[(4-bromopyrazol-1-yl)methyl]azetidin-1-yl]-6-methoxyquinoline?
4-[3-[(4-bromopyrazol-1-yl)methyl]azetidin-1-yl]-6-methoxyquinoline has a molecular weight of 373.25 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(4-bromopyrazol-1-yl)methyl]azetidin-1-yl]-6-methoxyquinoline is sourced from PubChem (CID 154575981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).