2-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]-4-methylquinoline

C16H15BrN4 — CID 126901546

IUPAC2-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]-4-methylquinoline
SMILESCc1cc(N2CC(n3cc(Br)cn3)C2)nc2ccccc12
InChIInChI=1S/C16H15BrN4/c1-11-6-16(19-15-5-3-2-4-14(11)15)20-9-13(10-20)21-8-12(17)7-18-21/h2-8,13H,9-10H2,1H3
InChIKeyIQCYPRSRWSCGAV-UHFFFAOYSA-N
MW343.23 g/mol
LogP3.56
Rot. Bonds2

About 2-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]-4-methylquinoline

2-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]-4-methylquinoline (PubChem CID 126901546) has the molecular formula C16H15BrN4 and a molecular weight of 343.23 g/mol. Its IUPAC name is 2-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]-4-methylquinoline.

Molecular Properties

Compound Name2-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]-4-methylquinoline
PubChem CID126901546
Molecular FormulaC16H15BrN4
Molecular Weight343.23 g/mol
Exact Mass342.05
IUPAC Name2-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]-4-methylquinoline
SMILESCc1cc(N2CC(n3cc(Br)cn3)C2)nc2ccccc12
InChIInChI=1S/C16H15BrN4/c1-11-6-16(19-15-5-3-2-4-14(11)15)20-9-13(10-20)21-8-12(17)7-18-21/h2-8,13H,9-10H2,1H3
InChIKeyIQCYPRSRWSCGAV-UHFFFAOYSA-N
XLogP3.56
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.23
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]-4-methylquinoline?
The IUPAC name of 2-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]-4-methylquinoline (CID 126901546) is 2-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]-4-methylquinoline.
What is the SMILES notation for 2-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]-4-methylquinoline?
The canonical SMILES for 2-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]-4-methylquinoline is Cc1cc(N2CC(n3cc(Br)cn3)C2)nc2ccccc12.
What is the InChIKey of 2-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]-4-methylquinoline?
The InChIKey is IQCYPRSRWSCGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN4/c1-11-6-16(19-15-5-3-2-4-14(11)15)20-9-13(10-20)21-8-12(17)7-18-21/h2-8,13H,9-10H2,1H3.
What are the key properties of 2-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]-4-methylquinoline?
2-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]-4-methylquinoline has a molecular weight of 343.23 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]-4-methylquinoline is sourced from PubChem (CID 126901546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).