N-methyl-3-(4-quinoxalin-2-ylphenyl)aniline

C21H17N3 — CID 134593476

IUPACN-methyl-3-(4-quinoxalin-2-ylphenyl)aniline
SMILESCNc1cccc(-c2ccc(-c3cnc4ccccc4n3)cc2)c1
InChIInChI=1S/C21H17N3/c1-22-18-6-4-5-17(13-18)15-9-11-16(12-10-15)21-14-23-19-7-2-3-8-20(19)24-21/h2-14,22H,1H3
InChIKeyQLGUIUAPPYIFEJ-UHFFFAOYSA-N
MW311.39 g/mol
LogP5.01
Rot. Bonds3

About N-methyl-3-(4-quinoxalin-2-ylphenyl)aniline

N-methyl-3-(4-quinoxalin-2-ylphenyl)aniline (PubChem CID 134593476) has the molecular formula C21H17N3 and a molecular weight of 311.39 g/mol. Its IUPAC name is N-methyl-3-(4-quinoxalin-2-ylphenyl)aniline.

Molecular Properties

Compound NameN-methyl-3-(4-quinoxalin-2-ylphenyl)aniline
PubChem CID134593476
Molecular FormulaC21H17N3
Molecular Weight311.39 g/mol
Exact Mass311.14
IUPAC NameN-methyl-3-(4-quinoxalin-2-ylphenyl)aniline
SMILESCNc1cccc(-c2ccc(-c3cnc4ccccc4n3)cc2)c1
InChIInChI=1S/C21H17N3/c1-22-18-6-4-5-17(13-18)15-9-11-16(12-10-15)21-14-23-19-7-2-3-8-20(19)24-21/h2-14,22H,1H3
InChIKeyQLGUIUAPPYIFEJ-UHFFFAOYSA-N
XLogP5.01
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.39
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-quinoxalin-2-ylphenyl)carbamoyl chloride
CID 73427550
2-[3-[(3-quinoxalin-2-ylphenyl)methyl]phenyl]quinoxaline
CID 161236708
CID 88913467
CID 88913467
N-methyl-2-phenylquinolin-7-amine
CID 142776720
3-methyl-N-(3-quinoxalin-2-ylphenyl)benzamide
CID 2224328
1-(4-methoxyphenyl)-3-(3-quinoxalin-2-ylphenyl)urea
CID 1485415
2-[4-(4-quinoxalin-2-ylphenoxy)phenyl]quinoxaline
CID 2246096
4-bromo-N-(3-quinoxalin-2-ylphenyl)benzamide
CID 2233095
N-methylaniline;N-methyl-3-(6-pyridin-2-yl-3-pyridinyl)aniline
CID 143267232
N-methyl-4-[3-[6-[3-[4-(methylamino)phenyl]phenyl]-2-phenylpyrimidin-4-yl]phenyl]aniline
CID 143239958
2,4-dimethyl-N-(3-quinoxalin-2-ylphenyl)-1,3-thiazole-5-carboxamide
CID 27195301
(3-quinoxalin-2-ylphenyl)methanamine
CID 174907322

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(4-quinoxalin-2-ylphenyl)aniline?
The IUPAC name of N-methyl-3-(4-quinoxalin-2-ylphenyl)aniline (CID 134593476) is N-methyl-3-(4-quinoxalin-2-ylphenyl)aniline.
What is the SMILES notation for N-methyl-3-(4-quinoxalin-2-ylphenyl)aniline?
The canonical SMILES for N-methyl-3-(4-quinoxalin-2-ylphenyl)aniline is CNc1cccc(-c2ccc(-c3cnc4ccccc4n3)cc2)c1.
What is the InChIKey of N-methyl-3-(4-quinoxalin-2-ylphenyl)aniline?
The InChIKey is QLGUIUAPPYIFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3/c1-22-18-6-4-5-17(13-18)15-9-11-16(12-10-15)21-14-23-19-7-2-3-8-20(19)24-21/h2-14,22H,1H3.
What are the key properties of N-methyl-3-(4-quinoxalin-2-ylphenyl)aniline?
N-methyl-3-(4-quinoxalin-2-ylphenyl)aniline has a molecular weight of 311.39 g/mol, XLogP of 5.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(4-quinoxalin-2-ylphenyl)aniline is sourced from PubChem (CID 134593476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).