3-[(6,7-dichloroquinoxalin-2-yl)amino]-2-hydroxy-N-methylpropanamide

C12H12Cl2N4O2 — CID 119035417

IUPAC3-[(6,7-dichloroquinoxalin-2-yl)amino]-2-hydroxy-N-methylpropanamide
SMILESCNC(=O)C(O)CNc1cnc2cc(Cl)c(Cl)cc2n1
InChIInChI=1S/C12H12Cl2N4O2/c1-15-12(20)10(19)4-17-11-5-16-8-2-6(13)7(14)3-9(8)18-11/h2-3,5,10,19H,4H2,1H3,(H,15,20)(H,17,18)
InChIKeyXJRIGKWSTASBSR-UHFFFAOYSA-N
MW315.16 g/mol
LogP1.46
Rot. Bonds4

About 3-[(6,7-dichloroquinoxalin-2-yl)amino]-2-hydroxy-N-methylpropanamide

3-[(6,7-dichloroquinoxalin-2-yl)amino]-2-hydroxy-N-methylpropanamide (PubChem CID 119035417) has the molecular formula C12H12Cl2N4O2 and a molecular weight of 315.16 g/mol. Its IUPAC name is 3-[(6,7-dichloroquinoxalin-2-yl)amino]-2-hydroxy-N-methylpropanamide.

Molecular Properties

Compound Name3-[(6,7-dichloroquinoxalin-2-yl)amino]-2-hydroxy-N-methylpropanamide
PubChem CID119035417
Molecular FormulaC12H12Cl2N4O2
Molecular Weight315.16 g/mol
Exact Mass314.03
IUPAC Name3-[(6,7-dichloroquinoxalin-2-yl)amino]-2-hydroxy-N-methylpropanamide
SMILESCNC(=O)C(O)CNc1cnc2cc(Cl)c(Cl)cc2n1
InChIInChI=1S/C12H12Cl2N4O2/c1-15-12(20)10(19)4-17-11-5-16-8-2-6(13)7(14)3-9(8)18-11/h2-3,5,10,19H,4H2,1H3,(H,15,20)(H,17,18)
InChIKeyXJRIGKWSTASBSR-UHFFFAOYSA-N
XLogP1.46
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.16
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6,7-dichloro-N-ethylquinoxalin-2-amine
CID 133462663
2-hydroxy-3-[(7-methoxyquinolin-2-yl)amino]-N-methylpropanamide
CID 146081731
3-[[3-chloro-5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-2-hydroxy-N-methylpropanamide
CID 126813265
2-hydroxy-N-methyl-3-(1,2,4-thiadiazol-5-ylamino)propanamide
CID 130626992
2-[(6,7-dichloroquinoxalin-2-yl)amino]-2-(4-fluorophenyl)acetamide
CID 133476267
4-[(6,7-dichloroquinoxalin-2-yl)amino]cyclohexane-1-carboxylic acid
CID 122060005
(1R)-1-(4-chlorophenyl)-2-(quinoxalin-2-ylamino)ethanol
CID 38006311
5-chloro-4-[6-[[(2R)-2-hydroxypropyl]amino]pyrazin-2-yl]pyridine-2-carboxamide
CID 67980338
2-[(6,7-difluoroquinoxalin-2-yl)amino]pentanoic acid
CID 122060632
2-hydroxy-N-methyl-3-[[2-(piperidine-1-carbonyl)-4-pyridinyl]amino]propanamide
CID 146106337
3-[(6-chloropyrimidin-4-yl)amino]-2-hydroxypropanamide
CID 106178679
3-[(2,6-dichloropyrimidin-4-yl)amino]-2-hydroxypropanamide
CID 130569835

Frequently Asked Questions

What is the IUPAC name of 3-[(6,7-dichloroquinoxalin-2-yl)amino]-2-hydroxy-N-methylpropanamide?
The IUPAC name of 3-[(6,7-dichloroquinoxalin-2-yl)amino]-2-hydroxy-N-methylpropanamide (CID 119035417) is 3-[(6,7-dichloroquinoxalin-2-yl)amino]-2-hydroxy-N-methylpropanamide.
What is the SMILES notation for 3-[(6,7-dichloroquinoxalin-2-yl)amino]-2-hydroxy-N-methylpropanamide?
The canonical SMILES for 3-[(6,7-dichloroquinoxalin-2-yl)amino]-2-hydroxy-N-methylpropanamide is CNC(=O)C(O)CNc1cnc2cc(Cl)c(Cl)cc2n1.
What is the InChIKey of 3-[(6,7-dichloroquinoxalin-2-yl)amino]-2-hydroxy-N-methylpropanamide?
The InChIKey is XJRIGKWSTASBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N4O2/c1-15-12(20)10(19)4-17-11-5-16-8-2-6(13)7(14)3-9(8)18-11/h2-3,5,10,19H,4H2,1H3,(H,15,20)(H,17,18).
What are the key properties of 3-[(6,7-dichloroquinoxalin-2-yl)amino]-2-hydroxy-N-methylpropanamide?
3-[(6,7-dichloroquinoxalin-2-yl)amino]-2-hydroxy-N-methylpropanamide has a molecular weight of 315.16 g/mol, XLogP of 1.46, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6,7-dichloroquinoxalin-2-yl)amino]-2-hydroxy-N-methylpropanamide is sourced from PubChem (CID 119035417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).