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

C16H14ClN3O — CID 38006311

IUPAC(1R)-1-(4-chlorophenyl)-2-(quinoxalin-2-ylamino)ethanol
SMILESO[C@@H](CNc1cnc2ccccc2n1)c1ccc(Cl)cc1
InChIInChI=1S/C16H14ClN3O/c17-12-7-5-11(6-8-12)15(21)9-19-16-10-18-13-3-1-2-4-14(13)20-16/h1-8,10,15,21H,9H2,(H,19,20)/t15-/m0/s1
InChIKeyXOOBGVDPIFXWQZ-HNNXBMFYSA-N
MW299.76 g/mol
LogP3.43
Rot. Bonds4

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

(1R)-1-(4-chlorophenyl)-2-(quinoxalin-2-ylamino)ethanol (PubChem CID 38006311) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is (1R)-1-(4-chlorophenyl)-2-(quinoxalin-2-ylamino)ethanol.

Molecular Properties

Compound Name(1R)-1-(4-chlorophenyl)-2-(quinoxalin-2-ylamino)ethanol
PubChem CID38006311
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC Name(1R)-1-(4-chlorophenyl)-2-(quinoxalin-2-ylamino)ethanol
SMILESO[C@@H](CNc1cnc2ccccc2n1)c1ccc(Cl)cc1
InChIInChI=1S/C16H14ClN3O/c17-12-7-5-11(6-8-12)15(21)9-19-16-10-18-13-3-1-2-4-14(13)20-16/h1-8,10,15,21H,9H2,(H,19,20)/t15-/m0/s1
InChIKeyXOOBGVDPIFXWQZ-HNNXBMFYSA-N
XLogP3.43
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-(4-methoxyphenyl)-2-(quinoxalin-2-ylamino)ethanol
CID 51943049
N-[1-(4-chlorophenyl)ethyl]quinoxalin-2-amine
CID 60716470
N-(2-phenylpropyl)quinoxalin-2-amine
CID 47142875
2-anilino-1-(4-chlorophenyl)ethanol
CID 13416404
N-(4-chloro-2-methylbutyl)quinoxalin-2-amine
CID 66089943
(1S)-2-[(2-amino-6-chloropyrimidin-4-yl)amino]-1-(4-chlorophenyl)ethanol
CID 52569320
1-(4-chlorophenyl)-2-(2-methylsulfanylanilino)ethanol
CID 107644582
1-N-quinoxalin-2-ylbutane-1,2-diamine;dihydrochloride
CID 141390759
(1S)-2-[(2-chloropyrimidin-4-yl)amino]-1-phenylethanol
CID 87737078
N-(2-iodoethyl)quinoxalin-2-amine
CID 163768527
1-(4-chlorophenyl)-2-(3,4-dichloroanilino)ethanol
CID 60724810
(2R)-2,3-dimethyl-1-(quinoxalin-2-ylamino)butan-2-ol
CID 95624706

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-chlorophenyl)-2-(quinoxalin-2-ylamino)ethanol?
The IUPAC name of (1R)-1-(4-chlorophenyl)-2-(quinoxalin-2-ylamino)ethanol (CID 38006311) is (1R)-1-(4-chlorophenyl)-2-(quinoxalin-2-ylamino)ethanol.
What is the SMILES notation for (1R)-1-(4-chlorophenyl)-2-(quinoxalin-2-ylamino)ethanol?
The canonical SMILES for (1R)-1-(4-chlorophenyl)-2-(quinoxalin-2-ylamino)ethanol is O[C@@H](CNc1cnc2ccccc2n1)c1ccc(Cl)cc1.
What is the InChIKey of (1R)-1-(4-chlorophenyl)-2-(quinoxalin-2-ylamino)ethanol?
The InChIKey is XOOBGVDPIFXWQZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H14ClN3O/c17-12-7-5-11(6-8-12)15(21)9-19-16-10-18-13-3-1-2-4-14(13)20-16/h1-8,10,15,21H,9H2,(H,19,20)/t15-/m0/s1.
What are the key properties of (1R)-1-(4-chlorophenyl)-2-(quinoxalin-2-ylamino)ethanol?
(1R)-1-(4-chlorophenyl)-2-(quinoxalin-2-ylamino)ethanol has a molecular weight of 299.76 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-chlorophenyl)-2-(quinoxalin-2-ylamino)ethanol is sourced from PubChem (CID 38006311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).