6-chloro-2-[3-[(4-chloropyrazol-1-yl)methyl]azetidin-1-yl]quinoline

C16H14Cl2N4 — CID 154581218

IUPAC6-chloro-2-[3-[(4-chloropyrazol-1-yl)methyl]azetidin-1-yl]quinoline
SMILESClc1ccc2nc(N3CC(Cn4cc(Cl)cn4)C3)ccc2c1
InChIInChI=1S/C16H14Cl2N4/c17-13-2-3-15-12(5-13)1-4-16(20-15)21-7-11(8-21)9-22-10-14(18)6-19-22/h1-6,10-11H,7-9H2
InChIKeyRBRURBQNVNRFLE-UHFFFAOYSA-N
MW333.22 g/mol
LogP3.87
Rot. Bonds3

About 6-chloro-2-[3-[(4-chloropyrazol-1-yl)methyl]azetidin-1-yl]quinoline

6-chloro-2-[3-[(4-chloropyrazol-1-yl)methyl]azetidin-1-yl]quinoline (PubChem CID 154581218) has the molecular formula C16H14Cl2N4 and a molecular weight of 333.22 g/mol. Its IUPAC name is 6-chloro-2-[3-[(4-chloropyrazol-1-yl)methyl]azetidin-1-yl]quinoline.

Molecular Properties

Compound Name6-chloro-2-[3-[(4-chloropyrazol-1-yl)methyl]azetidin-1-yl]quinoline
PubChem CID154581218
Molecular FormulaC16H14Cl2N4
Molecular Weight333.22 g/mol
Exact Mass332.06
IUPAC Name6-chloro-2-[3-[(4-chloropyrazol-1-yl)methyl]azetidin-1-yl]quinoline
SMILESClc1ccc2nc(N3CC(Cn4cc(Cl)cn4)C3)ccc2c1
InChIInChI=1S/C16H14Cl2N4/c17-13-2-3-15-12(5-13)1-4-16(20-15)21-7-11(8-21)9-22-10-14(18)6-19-22/h1-6,10-11H,7-9H2
InChIKeyRBRURBQNVNRFLE-UHFFFAOYSA-N
XLogP3.87
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.22
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[3-[(4-chloropyrazol-1-yl)methyl]azetidin-1-yl]quinoline?
The IUPAC name of 6-chloro-2-[3-[(4-chloropyrazol-1-yl)methyl]azetidin-1-yl]quinoline (CID 154581218) is 6-chloro-2-[3-[(4-chloropyrazol-1-yl)methyl]azetidin-1-yl]quinoline.
What is the SMILES notation for 6-chloro-2-[3-[(4-chloropyrazol-1-yl)methyl]azetidin-1-yl]quinoline?
The canonical SMILES for 6-chloro-2-[3-[(4-chloropyrazol-1-yl)methyl]azetidin-1-yl]quinoline is Clc1ccc2nc(N3CC(Cn4cc(Cl)cn4)C3)ccc2c1.
What is the InChIKey of 6-chloro-2-[3-[(4-chloropyrazol-1-yl)methyl]azetidin-1-yl]quinoline?
The InChIKey is RBRURBQNVNRFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N4/c17-13-2-3-15-12(5-13)1-4-16(20-15)21-7-11(8-21)9-22-10-14(18)6-19-22/h1-6,10-11H,7-9H2.
What are the key properties of 6-chloro-2-[3-[(4-chloropyrazol-1-yl)methyl]azetidin-1-yl]quinoline?
6-chloro-2-[3-[(4-chloropyrazol-1-yl)methyl]azetidin-1-yl]quinoline has a molecular weight of 333.22 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[3-[(4-chloropyrazol-1-yl)methyl]azetidin-1-yl]quinoline is sourced from PubChem (CID 154581218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).