4-(azetidin-3-yloxy)-N-[(7-chloroquinoxalin-6-yl)methyl]pyridin-3-amine

C17H16ClN5O — CID 168937091

IUPAC4-(azetidin-3-yloxy)-N-[(7-chloroquinoxalin-6-yl)methyl]pyridin-3-amine
SMILESClc1cc2nccnc2cc1CNc1cnccc1OC1CNC1
InChIInChI=1S/C17H16ClN5O/c18-13-6-15-14(21-3-4-22-15)5-11(13)7-23-16-10-19-2-1-17(16)24-12-8-20-9-12/h1-6,10,12,20,23H,7-9H2
InChIKeyRHXHVINLICSGDM-UHFFFAOYSA-N
MW341.80 g/mol
LogP2.64
Rot. Bonds5

About 4-(azetidin-3-yloxy)-N-[(7-chloroquinoxalin-6-yl)methyl]pyridin-3-amine

4-(azetidin-3-yloxy)-N-[(7-chloroquinoxalin-6-yl)methyl]pyridin-3-amine (PubChem CID 168937091) has the molecular formula C17H16ClN5O and a molecular weight of 341.80 g/mol. Its IUPAC name is 4-(azetidin-3-yloxy)-N-[(7-chloroquinoxalin-6-yl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name4-(azetidin-3-yloxy)-N-[(7-chloroquinoxalin-6-yl)methyl]pyridin-3-amine
PubChem CID168937091
Molecular FormulaC17H16ClN5O
Molecular Weight341.80 g/mol
Exact Mass341.10
IUPAC Name4-(azetidin-3-yloxy)-N-[(7-chloroquinoxalin-6-yl)methyl]pyridin-3-amine
SMILESClc1cc2nccnc2cc1CNc1cnccc1OC1CNC1
InChIInChI=1S/C17H16ClN5O/c18-13-6-15-14(21-3-4-22-15)5-11(13)7-23-16-10-19-2-1-17(16)24-12-8-20-9-12/h1-6,10,12,20,23H,7-9H2
InChIKeyRHXHVINLICSGDM-UHFFFAOYSA-N
XLogP2.64
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-3-yloxy)-N-[(7-chloroquinoxalin-6-yl)methyl]pyridin-3-amine?
The IUPAC name of 4-(azetidin-3-yloxy)-N-[(7-chloroquinoxalin-6-yl)methyl]pyridin-3-amine (CID 168937091) is 4-(azetidin-3-yloxy)-N-[(7-chloroquinoxalin-6-yl)methyl]pyridin-3-amine.
What is the SMILES notation for 4-(azetidin-3-yloxy)-N-[(7-chloroquinoxalin-6-yl)methyl]pyridin-3-amine?
The canonical SMILES for 4-(azetidin-3-yloxy)-N-[(7-chloroquinoxalin-6-yl)methyl]pyridin-3-amine is Clc1cc2nccnc2cc1CNc1cnccc1OC1CNC1.
What is the InChIKey of 4-(azetidin-3-yloxy)-N-[(7-chloroquinoxalin-6-yl)methyl]pyridin-3-amine?
The InChIKey is RHXHVINLICSGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5O/c18-13-6-15-14(21-3-4-22-15)5-11(13)7-23-16-10-19-2-1-17(16)24-12-8-20-9-12/h1-6,10,12,20,23H,7-9H2.
What are the key properties of 4-(azetidin-3-yloxy)-N-[(7-chloroquinoxalin-6-yl)methyl]pyridin-3-amine?
4-(azetidin-3-yloxy)-N-[(7-chloroquinoxalin-6-yl)methyl]pyridin-3-amine has a molecular weight of 341.80 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-3-yloxy)-N-[(7-chloroquinoxalin-6-yl)methyl]pyridin-3-amine is sourced from PubChem (CID 168937091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).