1-[6-chloro-7-(2-fluorophenyl)quinolin-4-yl]azetidin-3-amine

C18H15ClFN3 — CID 167080376

IUPAC1-[6-chloro-7-(2-fluorophenyl)quinolin-4-yl]azetidin-3-amine
SMILESNC1CN(c2ccnc3cc(-c4ccccc4F)c(Cl)cc23)C1
InChIInChI=1S/C18H15ClFN3/c19-15-7-14-17(8-13(15)12-3-1-2-4-16(12)20)22-6-5-18(14)23-9-11(21)10-23/h1-8,11H,9-10,21H2
InChIKeyTXJABELHBNUJOE-UHFFFAOYSA-N
MW327.79 g/mol
LogP3.84
Rot. Bonds2

About 1-[6-chloro-7-(2-fluorophenyl)quinolin-4-yl]azetidin-3-amine

1-[6-chloro-7-(2-fluorophenyl)quinolin-4-yl]azetidin-3-amine (PubChem CID 167080376) has the molecular formula C18H15ClFN3 and a molecular weight of 327.79 g/mol. Its IUPAC name is 1-[6-chloro-7-(2-fluorophenyl)quinolin-4-yl]azetidin-3-amine.

Molecular Properties

Compound Name1-[6-chloro-7-(2-fluorophenyl)quinolin-4-yl]azetidin-3-amine
PubChem CID167080376
Molecular FormulaC18H15ClFN3
Molecular Weight327.79 g/mol
Exact Mass327.09
IUPAC Name1-[6-chloro-7-(2-fluorophenyl)quinolin-4-yl]azetidin-3-amine
SMILESNC1CN(c2ccnc3cc(-c4ccccc4F)c(Cl)cc23)C1
InChIInChI=1S/C18H15ClFN3/c19-15-7-14-17(8-13(15)12-3-1-2-4-16(12)20)22-6-5-18(14)23-9-11(21)10-23/h1-8,11H,9-10,21H2
InChIKeyTXJABELHBNUJOE-UHFFFAOYSA-N
XLogP3.84
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.79
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[6-chloro-7-(2-fluorophenyl)quinolin-4-yl]azetidin-3-amine?
The IUPAC name of 1-[6-chloro-7-(2-fluorophenyl)quinolin-4-yl]azetidin-3-amine (CID 167080376) is 1-[6-chloro-7-(2-fluorophenyl)quinolin-4-yl]azetidin-3-amine.
What is the SMILES notation for 1-[6-chloro-7-(2-fluorophenyl)quinolin-4-yl]azetidin-3-amine?
The canonical SMILES for 1-[6-chloro-7-(2-fluorophenyl)quinolin-4-yl]azetidin-3-amine is NC1CN(c2ccnc3cc(-c4ccccc4F)c(Cl)cc23)C1.
What is the InChIKey of 1-[6-chloro-7-(2-fluorophenyl)quinolin-4-yl]azetidin-3-amine?
The InChIKey is TXJABELHBNUJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN3/c19-15-7-14-17(8-13(15)12-3-1-2-4-16(12)20)22-6-5-18(14)23-9-11(21)10-23/h1-8,11H,9-10,21H2.
What are the key properties of 1-[6-chloro-7-(2-fluorophenyl)quinolin-4-yl]azetidin-3-amine?
1-[6-chloro-7-(2-fluorophenyl)quinolin-4-yl]azetidin-3-amine has a molecular weight of 327.79 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-chloro-7-(2-fluorophenyl)quinolin-4-yl]azetidin-3-amine is sourced from PubChem (CID 167080376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).