6-[2-(3-methylphenyl)-3-pyridinyl]quinoxaline

C20H15N3 — CID 90095667

IUPAC6-[2-(3-methylphenyl)-3-pyridinyl]quinoxaline
SMILESCc1cccc(-c2ncccc2-c2ccc3nccnc3c2)c1
InChIInChI=1S/C20H15N3/c1-14-4-2-5-16(12-14)20-17(6-3-9-23-20)15-7-8-18-19(13-15)22-11-10-21-18/h2-13H,1H3
InChIKeyNLYAHDSGQBDNDZ-UHFFFAOYSA-N
MW297.36 g/mol
LogP4.67
Rot. Bonds2

About 6-[2-(3-methylphenyl)-3-pyridinyl]quinoxaline

6-[2-(3-methylphenyl)-3-pyridinyl]quinoxaline (PubChem CID 90095667) has the molecular formula C20H15N3 and a molecular weight of 297.36 g/mol. Its IUPAC name is 6-[2-(3-methylphenyl)-3-pyridinyl]quinoxaline.

Molecular Properties

Compound Name6-[2-(3-methylphenyl)-3-pyridinyl]quinoxaline
PubChem CID90095667
Molecular FormulaC20H15N3
Molecular Weight297.36 g/mol
Exact Mass297.13
IUPAC Name6-[2-(3-methylphenyl)-3-pyridinyl]quinoxaline
SMILESCc1cccc(-c2ncccc2-c2ccc3nccnc3c2)c1
InChIInChI=1S/C20H15N3/c1-14-4-2-5-16(12-14)20-17(6-3-9-23-20)15-7-8-18-19(13-15)22-11-10-21-18/h2-13H,1H3
InChIKeyNLYAHDSGQBDNDZ-UHFFFAOYSA-N
XLogP4.67
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-methylphenyl)-3-pyridinyl]quinoxaline?
The IUPAC name of 6-[2-(3-methylphenyl)-3-pyridinyl]quinoxaline (CID 90095667) is 6-[2-(3-methylphenyl)-3-pyridinyl]quinoxaline.
What is the SMILES notation for 6-[2-(3-methylphenyl)-3-pyridinyl]quinoxaline?
The canonical SMILES for 6-[2-(3-methylphenyl)-3-pyridinyl]quinoxaline is Cc1cccc(-c2ncccc2-c2ccc3nccnc3c2)c1.
What is the InChIKey of 6-[2-(3-methylphenyl)-3-pyridinyl]quinoxaline?
The InChIKey is NLYAHDSGQBDNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3/c1-14-4-2-5-16(12-14)20-17(6-3-9-23-20)15-7-8-18-19(13-15)22-11-10-21-18/h2-13H,1H3.
What are the key properties of 6-[2-(3-methylphenyl)-3-pyridinyl]quinoxaline?
6-[2-(3-methylphenyl)-3-pyridinyl]quinoxaline has a molecular weight of 297.36 g/mol, XLogP of 4.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-methylphenyl)-3-pyridinyl]quinoxaline is sourced from PubChem (CID 90095667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).