4-methyl-N-[(3-methylquinoxalin-2-yl)methyl]aniline

C17H17N3 — CID 20787666

IUPAC4-methyl-N-[(3-methylquinoxalin-2-yl)methyl]aniline
SMILESCc1ccc(NCc2nc3ccccc3nc2C)cc1
InChIInChI=1S/C17H17N3/c1-12-7-9-14(10-8-12)18-11-17-13(2)19-15-5-3-4-6-16(15)20-17/h3-10,18H,11H2,1-2H3
InChIKeyBQYIELYCCCTABG-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.86
Rot. Bonds3

About 4-methyl-N-[(3-methylquinoxalin-2-yl)methyl]aniline

4-methyl-N-[(3-methylquinoxalin-2-yl)methyl]aniline (PubChem CID 20787666) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-methyl-N-[(3-methylquinoxalin-2-yl)methyl]aniline.

Molecular Properties

Compound Name4-methyl-N-[(3-methylquinoxalin-2-yl)methyl]aniline
PubChem CID20787666
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC Name4-methyl-N-[(3-methylquinoxalin-2-yl)methyl]aniline
SMILESCc1ccc(NCc2nc3ccccc3nc2C)cc1
InChIInChI=1S/C17H17N3/c1-12-7-9-14(10-8-12)18-11-17-13(2)19-15-5-3-4-6-16(15)20-17/h3-10,18H,11H2,1-2H3
InChIKeyBQYIELYCCCTABG-UHFFFAOYSA-N
XLogP3.86
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(3-methylquinoxalin-2-yl)methyl]aniline?
The IUPAC name of 4-methyl-N-[(3-methylquinoxalin-2-yl)methyl]aniline (CID 20787666) is 4-methyl-N-[(3-methylquinoxalin-2-yl)methyl]aniline.
What is the SMILES notation for 4-methyl-N-[(3-methylquinoxalin-2-yl)methyl]aniline?
The canonical SMILES for 4-methyl-N-[(3-methylquinoxalin-2-yl)methyl]aniline is Cc1ccc(NCc2nc3ccccc3nc2C)cc1.
What is the InChIKey of 4-methyl-N-[(3-methylquinoxalin-2-yl)methyl]aniline?
The InChIKey is BQYIELYCCCTABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c1-12-7-9-14(10-8-12)18-11-17-13(2)19-15-5-3-4-6-16(15)20-17/h3-10,18H,11H2,1-2H3.
What are the key properties of 4-methyl-N-[(3-methylquinoxalin-2-yl)methyl]aniline?
4-methyl-N-[(3-methylquinoxalin-2-yl)methyl]aniline has a molecular weight of 263.34 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(3-methylquinoxalin-2-yl)methyl]aniline is sourced from PubChem (CID 20787666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).