6-chloro-1-methyl-4-(pyridin-3-ylmethyl)-2,3-dihydroquinoxaline

C15H16ClN3 — CID 75451837

IUPAC6-chloro-1-methyl-4-(pyridin-3-ylmethyl)-2,3-dihydroquinoxaline
SMILESCN1CCN(Cc2cccnc2)c2cc(Cl)ccc21
InChIInChI=1S/C15H16ClN3/c1-18-7-8-19(11-12-3-2-6-17-10-12)15-9-13(16)4-5-14(15)18/h2-6,9-10H,7-8,11H2,1H3
InChIKeyZEWUUMSEMBOTLE-UHFFFAOYSA-N
MW273.77 g/mol
LogP3.19
Rot. Bonds2

About 6-chloro-1-methyl-4-(pyridin-3-ylmethyl)-2,3-dihydroquinoxaline

6-chloro-1-methyl-4-(pyridin-3-ylmethyl)-2,3-dihydroquinoxaline (PubChem CID 75451837) has the molecular formula C15H16ClN3 and a molecular weight of 273.77 g/mol. Its IUPAC name is 6-chloro-1-methyl-4-(pyridin-3-ylmethyl)-2,3-dihydroquinoxaline.

Molecular Properties

Compound Name6-chloro-1-methyl-4-(pyridin-3-ylmethyl)-2,3-dihydroquinoxaline
PubChem CID75451837
Molecular FormulaC15H16ClN3
Molecular Weight273.77 g/mol
Exact Mass273.10
IUPAC Name6-chloro-1-methyl-4-(pyridin-3-ylmethyl)-2,3-dihydroquinoxaline
SMILESCN1CCN(Cc2cccnc2)c2cc(Cl)ccc21
InChIInChI=1S/C15H16ClN3/c1-18-7-8-19(11-12-3-2-6-17-10-12)15-9-13(16)4-5-14(15)18/h2-6,9-10H,7-8,11H2,1H3
InChIKeyZEWUUMSEMBOTLE-UHFFFAOYSA-N
XLogP3.19
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.77
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-methyl-4-(pyridin-3-ylmethyl)-2,3-dihydroquinoxaline?
The IUPAC name of 6-chloro-1-methyl-4-(pyridin-3-ylmethyl)-2,3-dihydroquinoxaline (CID 75451837) is 6-chloro-1-methyl-4-(pyridin-3-ylmethyl)-2,3-dihydroquinoxaline.
What is the SMILES notation for 6-chloro-1-methyl-4-(pyridin-3-ylmethyl)-2,3-dihydroquinoxaline?
The canonical SMILES for 6-chloro-1-methyl-4-(pyridin-3-ylmethyl)-2,3-dihydroquinoxaline is CN1CCN(Cc2cccnc2)c2cc(Cl)ccc21.
What is the InChIKey of 6-chloro-1-methyl-4-(pyridin-3-ylmethyl)-2,3-dihydroquinoxaline?
The InChIKey is ZEWUUMSEMBOTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3/c1-18-7-8-19(11-12-3-2-6-17-10-12)15-9-13(16)4-5-14(15)18/h2-6,9-10H,7-8,11H2,1H3.
What are the key properties of 6-chloro-1-methyl-4-(pyridin-3-ylmethyl)-2,3-dihydroquinoxaline?
6-chloro-1-methyl-4-(pyridin-3-ylmethyl)-2,3-dihydroquinoxaline has a molecular weight of 273.77 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-methyl-4-(pyridin-3-ylmethyl)-2,3-dihydroquinoxaline is sourced from PubChem (CID 75451837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).