2-[3-(pyridin-4-ylmethoxy)phenyl]quinoxaline

C20H15N3O — CID 138808875

IUPAC2-[3-(pyridin-4-ylmethoxy)phenyl]quinoxaline
SMILESc1cc(OCc2ccncc2)cc(-c2cnc3ccccc3n2)c1
InChIInChI=1S/C20H15N3O/c1-2-7-19-18(6-1)22-13-20(23-19)16-4-3-5-17(12-16)24-14-15-8-10-21-11-9-15/h1-13H,14H2
InChIKeyWNFIQKKKXWXIEP-UHFFFAOYSA-N
MW313.36 g/mol
LogP4.27
Rot. Bonds4

About 2-[3-(pyridin-4-ylmethoxy)phenyl]quinoxaline

2-[3-(pyridin-4-ylmethoxy)phenyl]quinoxaline (PubChem CID 138808875) has the molecular formula C20H15N3O and a molecular weight of 313.36 g/mol. Its IUPAC name is 2-[3-(pyridin-4-ylmethoxy)phenyl]quinoxaline.

Molecular Properties

Compound Name2-[3-(pyridin-4-ylmethoxy)phenyl]quinoxaline
PubChem CID138808875
Molecular FormulaC20H15N3O
Molecular Weight313.36 g/mol
Exact Mass313.12
IUPAC Name2-[3-(pyridin-4-ylmethoxy)phenyl]quinoxaline
SMILESc1cc(OCc2ccncc2)cc(-c2cnc3ccccc3n2)c1
InChIInChI=1S/C20H15N3O/c1-2-7-19-18(6-1)22-13-20(23-19)16-4-3-5-17(12-16)24-14-15-8-10-21-11-9-15/h1-13H,14H2
InChIKeyWNFIQKKKXWXIEP-UHFFFAOYSA-N
XLogP4.27
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-phenylmethoxyphenyl)quinoxaline
CID 902798
2-[3-[(3-quinoxalin-2-ylphenyl)methyl]phenyl]quinoxaline
CID 161236708
(3-quinoxalin-2-ylphenyl)methanamine
CID 174907322
5-(3-phenylmethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 8778801
[2-(3-phenylmethoxyphenyl)-4-pyridinyl]methanamine
CID 171365592
4-(3-phenylmethoxyphenyl)pyridine-3-carboxylic acid
CID 53229665
2-(3,5-dimethoxyphenyl)quinoxaline
CID 102112241
1-methyl-4-phenoxybenzene;4-[(3-methylphenoxy)methyl]pyridine;1-methyl-4-phenylbenzene
CID 158309551
N-[(3-phenylmethoxyphenyl)methyl]pyridin-4-amine
CID 141029302
2-[4-(4-quinoxalin-2-ylphenoxy)phenyl]quinoxaline
CID 2246096
2-[3-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]phenyl]quinoxaline
CID 138809132
6,7-bis(phenylmethoxy)isoquinoline
CID 14151864

Frequently Asked Questions

What is the IUPAC name of 2-[3-(pyridin-4-ylmethoxy)phenyl]quinoxaline?
The IUPAC name of 2-[3-(pyridin-4-ylmethoxy)phenyl]quinoxaline (CID 138808875) is 2-[3-(pyridin-4-ylmethoxy)phenyl]quinoxaline.
What is the SMILES notation for 2-[3-(pyridin-4-ylmethoxy)phenyl]quinoxaline?
The canonical SMILES for 2-[3-(pyridin-4-ylmethoxy)phenyl]quinoxaline is c1cc(OCc2ccncc2)cc(-c2cnc3ccccc3n2)c1.
What is the InChIKey of 2-[3-(pyridin-4-ylmethoxy)phenyl]quinoxaline?
The InChIKey is WNFIQKKKXWXIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O/c1-2-7-19-18(6-1)22-13-20(23-19)16-4-3-5-17(12-16)24-14-15-8-10-21-11-9-15/h1-13H,14H2.
What are the key properties of 2-[3-(pyridin-4-ylmethoxy)phenyl]quinoxaline?
2-[3-(pyridin-4-ylmethoxy)phenyl]quinoxaline has a molecular weight of 313.36 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(pyridin-4-ylmethoxy)phenyl]quinoxaline is sourced from PubChem (CID 138808875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).