5-methyl-8-[2-(4-methylnaphthalen-1-yl)ethyl]quinoxaline

C22H20N2 — CID 146577718

IUPAC5-methyl-8-[2-(4-methylnaphthalen-1-yl)ethyl]quinoxaline
SMILESCc1ccc(CCc2ccc(C)c3nccnc23)c2ccccc12
InChIInChI=1S/C22H20N2/c1-15-7-9-17(20-6-4-3-5-19(15)20)11-12-18-10-8-16(2)21-22(18)24-14-13-23-21/h3-10,13-14H,11-12H2,1-2H3
InChIKeySCNFGOFANXINOH-UHFFFAOYSA-N
MW312.42 g/mol
LogP5.19
Rot. Bonds3

About 5-methyl-8-[2-(4-methylnaphthalen-1-yl)ethyl]quinoxaline

5-methyl-8-[2-(4-methylnaphthalen-1-yl)ethyl]quinoxaline (PubChem CID 146577718) has the molecular formula C22H20N2 and a molecular weight of 312.42 g/mol. Its IUPAC name is 5-methyl-8-[2-(4-methylnaphthalen-1-yl)ethyl]quinoxaline.

Molecular Properties

Compound Name5-methyl-8-[2-(4-methylnaphthalen-1-yl)ethyl]quinoxaline
PubChem CID146577718
Molecular FormulaC22H20N2
Molecular Weight312.42 g/mol
Exact Mass312.16
IUPAC Name5-methyl-8-[2-(4-methylnaphthalen-1-yl)ethyl]quinoxaline
SMILESCc1ccc(CCc2ccc(C)c3nccnc23)c2ccccc12
InChIInChI=1S/C22H20N2/c1-15-7-9-17(20-6-4-3-5-19(15)20)11-12-18-10-8-16(2)21-22(18)24-14-13-23-21/h3-10,13-14H,11-12H2,1-2H3
InChIKeySCNFGOFANXINOH-UHFFFAOYSA-N
XLogP5.19
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.42
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-8-[2-(4-methylnaphthalen-1-yl)ethyl]quinoxaline?
The IUPAC name of 5-methyl-8-[2-(4-methylnaphthalen-1-yl)ethyl]quinoxaline (CID 146577718) is 5-methyl-8-[2-(4-methylnaphthalen-1-yl)ethyl]quinoxaline.
What is the SMILES notation for 5-methyl-8-[2-(4-methylnaphthalen-1-yl)ethyl]quinoxaline?
The canonical SMILES for 5-methyl-8-[2-(4-methylnaphthalen-1-yl)ethyl]quinoxaline is Cc1ccc(CCc2ccc(C)c3nccnc23)c2ccccc12.
What is the InChIKey of 5-methyl-8-[2-(4-methylnaphthalen-1-yl)ethyl]quinoxaline?
The InChIKey is SCNFGOFANXINOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2/c1-15-7-9-17(20-6-4-3-5-19(15)20)11-12-18-10-8-16(2)21-22(18)24-14-13-23-21/h3-10,13-14H,11-12H2,1-2H3.
What are the key properties of 5-methyl-8-[2-(4-methylnaphthalen-1-yl)ethyl]quinoxaline?
5-methyl-8-[2-(4-methylnaphthalen-1-yl)ethyl]quinoxaline has a molecular weight of 312.42 g/mol, XLogP of 5.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-8-[2-(4-methylnaphthalen-1-yl)ethyl]quinoxaline is sourced from PubChem (CID 146577718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).