(1R)-1-(4-methoxyphenyl)-2-(quinoxalin-2-ylamino)ethanol

C17H17N3O2 — CID 51943049

IUPAC(1R)-1-(4-methoxyphenyl)-2-(quinoxalin-2-ylamino)ethanol
SMILESCOc1ccc([C@@H](O)CNc2cnc3ccccc3n2)cc1
InChIInChI=1S/C17H17N3O2/c1-22-13-8-6-12(7-9-13)16(21)10-19-17-11-18-14-4-2-3-5-15(14)20-17/h2-9,11,16,21H,10H2,1H3,(H,19,20)/t16-/m0/s1
InChIKeyQRCSFNZLZRADMX-INIZCTEOSA-N
MW295.34 g/mol
LogP2.78
Rot. Bonds5

About (1R)-1-(4-methoxyphenyl)-2-(quinoxalin-2-ylamino)ethanol

(1R)-1-(4-methoxyphenyl)-2-(quinoxalin-2-ylamino)ethanol (PubChem CID 51943049) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is (1R)-1-(4-methoxyphenyl)-2-(quinoxalin-2-ylamino)ethanol.

Molecular Properties

Compound Name(1R)-1-(4-methoxyphenyl)-2-(quinoxalin-2-ylamino)ethanol
PubChem CID51943049
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name(1R)-1-(4-methoxyphenyl)-2-(quinoxalin-2-ylamino)ethanol
SMILESCOc1ccc([C@@H](O)CNc2cnc3ccccc3n2)cc1
InChIInChI=1S/C17H17N3O2/c1-22-13-8-6-12(7-9-13)16(21)10-19-17-11-18-14-4-2-3-5-15(14)20-17/h2-9,11,16,21H,10H2,1H3,(H,19,20)/t16-/m0/s1
InChIKeyQRCSFNZLZRADMX-INIZCTEOSA-N
XLogP2.78
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-1-(4-chlorophenyl)-2-(quinoxalin-2-ylamino)ethanol
CID 38006311
(1S)-2-[(6-benzylsulfanylpyrazin-2-yl)amino]-1-(4-methoxyphenyl)ethanol
CID 99816123
1-(4-methoxyphenyl)-2-(2-methylsulfanylanilino)ethanol
CID 107644674
(4-methoxyphenyl)-quinoxalin-2-ylmethanol
CID 107357547
N-(2-phenylpropyl)quinoxalin-2-amine
CID 47142875
1-(4-methoxyphenyl)-2-[(1-methylpyrazol-3-yl)amino]ethanol
CID 79778765
2-[(3-chloro-4-pyridinyl)amino]-1-(4-methoxyphenyl)ethanol
CID 133351741
2-(2,6-difluoroanilino)-1-(4-methoxyphenyl)ethanol
CID 60900221
1-N-quinoxalin-2-ylbutane-1,2-diamine;dihydrochloride
CID 141390759
2-(3,3-dimethylbutan-2-ylamino)-1-(4-methoxyphenyl)ethanol
CID 111333995
2-hydrazinyl-1-(4-methoxyphenyl)ethanol
CID 21361112
N-(4-chloro-2-methylbutyl)quinoxalin-2-amine
CID 66089943

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-methoxyphenyl)-2-(quinoxalin-2-ylamino)ethanol?
The IUPAC name of (1R)-1-(4-methoxyphenyl)-2-(quinoxalin-2-ylamino)ethanol (CID 51943049) is (1R)-1-(4-methoxyphenyl)-2-(quinoxalin-2-ylamino)ethanol.
What is the SMILES notation for (1R)-1-(4-methoxyphenyl)-2-(quinoxalin-2-ylamino)ethanol?
The canonical SMILES for (1R)-1-(4-methoxyphenyl)-2-(quinoxalin-2-ylamino)ethanol is COc1ccc([C@@H](O)CNc2cnc3ccccc3n2)cc1.
What is the InChIKey of (1R)-1-(4-methoxyphenyl)-2-(quinoxalin-2-ylamino)ethanol?
The InChIKey is QRCSFNZLZRADMX-INIZCTEOSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-22-13-8-6-12(7-9-13)16(21)10-19-17-11-18-14-4-2-3-5-15(14)20-17/h2-9,11,16,21H,10H2,1H3,(H,19,20)/t16-/m0/s1.
What are the key properties of (1R)-1-(4-methoxyphenyl)-2-(quinoxalin-2-ylamino)ethanol?
(1R)-1-(4-methoxyphenyl)-2-(quinoxalin-2-ylamino)ethanol has a molecular weight of 295.34 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-methoxyphenyl)-2-(quinoxalin-2-ylamino)ethanol is sourced from PubChem (CID 51943049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).