1-[3-(7-chloroquinoxalin-5-yl)phenyl]azetidin-3-amine

C17H15ClN4 — CID 122697630

IUPAC1-[3-(7-chloroquinoxalin-5-yl)phenyl]azetidin-3-amine
SMILESNC1CN(c2cccc(-c3cc(Cl)cc4nccnc34)c2)C1
InChIInChI=1S/C17H15ClN4/c18-12-7-15(17-16(8-12)20-4-5-21-17)11-2-1-3-14(6-11)22-9-13(19)10-22/h1-8,13H,9-10,19H2
InChIKeyLAEBURPVSXXHPY-UHFFFAOYSA-N
MW310.79 g/mol
LogP3.10
Rot. Bonds2

About 1-[3-(7-chloroquinoxalin-5-yl)phenyl]azetidin-3-amine

1-[3-(7-chloroquinoxalin-5-yl)phenyl]azetidin-3-amine (PubChem CID 122697630) has the molecular formula C17H15ClN4 and a molecular weight of 310.79 g/mol. Its IUPAC name is 1-[3-(7-chloroquinoxalin-5-yl)phenyl]azetidin-3-amine.

Molecular Properties

Compound Name1-[3-(7-chloroquinoxalin-5-yl)phenyl]azetidin-3-amine
PubChem CID122697630
Molecular FormulaC17H15ClN4
Molecular Weight310.79 g/mol
Exact Mass310.10
IUPAC Name1-[3-(7-chloroquinoxalin-5-yl)phenyl]azetidin-3-amine
SMILESNC1CN(c2cccc(-c3cc(Cl)cc4nccnc34)c2)C1
InChIInChI=1S/C17H15ClN4/c18-12-7-15(17-16(8-12)20-4-5-21-17)11-2-1-3-14(6-11)22-9-13(19)10-22/h1-8,13H,9-10,19H2
InChIKeyLAEBURPVSXXHPY-UHFFFAOYSA-N
XLogP3.10
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.79
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(7-chloroquinoxalin-5-yl)phenyl]azetidin-3-amine?
The IUPAC name of 1-[3-(7-chloroquinoxalin-5-yl)phenyl]azetidin-3-amine (CID 122697630) is 1-[3-(7-chloroquinoxalin-5-yl)phenyl]azetidin-3-amine.
What is the SMILES notation for 1-[3-(7-chloroquinoxalin-5-yl)phenyl]azetidin-3-amine?
The canonical SMILES for 1-[3-(7-chloroquinoxalin-5-yl)phenyl]azetidin-3-amine is NC1CN(c2cccc(-c3cc(Cl)cc4nccnc34)c2)C1.
What is the InChIKey of 1-[3-(7-chloroquinoxalin-5-yl)phenyl]azetidin-3-amine?
The InChIKey is LAEBURPVSXXHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4/c18-12-7-15(17-16(8-12)20-4-5-21-17)11-2-1-3-14(6-11)22-9-13(19)10-22/h1-8,13H,9-10,19H2.
What are the key properties of 1-[3-(7-chloroquinoxalin-5-yl)phenyl]azetidin-3-amine?
1-[3-(7-chloroquinoxalin-5-yl)phenyl]azetidin-3-amine has a molecular weight of 310.79 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(7-chloroquinoxalin-5-yl)phenyl]azetidin-3-amine is sourced from PubChem (CID 122697630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).