2-[[3-(4-methylphenyl)quinoxalin-2-yl]amino]ethanol

C17H17N3O — CID 23910902

IUPAC2-[[3-(4-methylphenyl)quinoxalin-2-yl]amino]ethanol
SMILESCc1ccc(-c2nc3ccccc3nc2NCCO)cc1
InChIInChI=1S/C17H17N3O/c1-12-6-8-13(9-7-12)16-17(18-10-11-21)20-15-5-3-2-4-14(15)19-16/h2-9,21H,10-11H2,1H3,(H,18,20)
InChIKeyLGPLLTAEDCPKJO-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.01
Rot. Bonds4

About 2-[[3-(4-methylphenyl)quinoxalin-2-yl]amino]ethanol

2-[[3-(4-methylphenyl)quinoxalin-2-yl]amino]ethanol (PubChem CID 23910902) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[[3-(4-methylphenyl)quinoxalin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[3-(4-methylphenyl)quinoxalin-2-yl]amino]ethanol
PubChem CID23910902
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name2-[[3-(4-methylphenyl)quinoxalin-2-yl]amino]ethanol
SMILESCc1ccc(-c2nc3ccccc3nc2NCCO)cc1
InChIInChI=1S/C17H17N3O/c1-12-6-8-13(9-7-12)16-17(18-10-11-21)20-15-5-3-2-4-14(15)19-16/h2-9,21H,10-11H2,1H3,(H,18,20)
InChIKeyLGPLLTAEDCPKJO-UHFFFAOYSA-N
XLogP3.01
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N',N'-dimethyl-N-(3-phenylquinoxalin-2-yl)propane-1,3-diamine
CID 18549017
1-[[3-(4-methylphenyl)quinoxalin-2-yl]amino]-3-phenylthiourea
CID 2331057
2-[(2-phenylquinazolin-4-yl)amino]ethanol;hydrochloride
CID 2789481
N-[(4-methylphenyl)methyl]-3-phenylquinolin-2-amine
CID 164677719
6-(4-methylphenyl)phenanthridine
CID 10707098
3-(4-methylphenyl)quinoxaline-2-carbaldehyde
CID 71559721
3-phenyl-N-(4-phenylphenyl)quinoxalin-2-amine
CID 166918238
methyl 2-phenyl-3-(2-phenylethylamino)quinoxaline-6-carboxylate
CID 67041739
N-[4-[[3-(2-hydroxyethylamino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide
CID 25038629
2,4-bis(2-hydroxyethylamino)quinoline-3-carbonitrile
CID 171987692
1-butyl-3-[(3-phenylquinoxalin-2-yl)amino]thiourea
CID 10545897
N',N'-dimethyl-N-(3-methylquinoxalin-2-yl)ethane-1,2-diamine
CID 18549044

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-methylphenyl)quinoxalin-2-yl]amino]ethanol?
The IUPAC name of 2-[[3-(4-methylphenyl)quinoxalin-2-yl]amino]ethanol (CID 23910902) is 2-[[3-(4-methylphenyl)quinoxalin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[3-(4-methylphenyl)quinoxalin-2-yl]amino]ethanol?
The canonical SMILES for 2-[[3-(4-methylphenyl)quinoxalin-2-yl]amino]ethanol is Cc1ccc(-c2nc3ccccc3nc2NCCO)cc1.
What is the InChIKey of 2-[[3-(4-methylphenyl)quinoxalin-2-yl]amino]ethanol?
The InChIKey is LGPLLTAEDCPKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-12-6-8-13(9-7-12)16-17(18-10-11-21)20-15-5-3-2-4-14(15)19-16/h2-9,21H,10-11H2,1H3,(H,18,20).
What are the key properties of 2-[[3-(4-methylphenyl)quinoxalin-2-yl]amino]ethanol?
2-[[3-(4-methylphenyl)quinoxalin-2-yl]amino]ethanol has a molecular weight of 279.34 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-methylphenyl)quinoxalin-2-yl]amino]ethanol is sourced from PubChem (CID 23910902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).