1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methylquinoxalin-2-one

C13H10ClN3OS — CID 79765497

IUPAC1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methylquinoxalin-2-one
SMILESCc1nc2ccccc2n(Cc2cnc(Cl)s2)c1=O
InChIInChI=1S/C13H10ClN3OS/c1-8-12(18)17(7-9-6-15-13(14)19-9)11-5-3-2-4-10(11)16-8/h2-6H,7H2,1H3
InChIKeyYXCRZLULQXREMH-UHFFFAOYSA-N
MW291.76 g/mol
LogP2.86
Rot. Bonds2

About 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methylquinoxalin-2-one

1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methylquinoxalin-2-one (PubChem CID 79765497) has the molecular formula C13H10ClN3OS and a molecular weight of 291.76 g/mol. Its IUPAC name is 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methylquinoxalin-2-one.

Molecular Properties

Compound Name1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methylquinoxalin-2-one
PubChem CID79765497
Molecular FormulaC13H10ClN3OS
Molecular Weight291.76 g/mol
Exact Mass291.02
IUPAC Name1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methylquinoxalin-2-one
SMILESCc1nc2ccccc2n(Cc2cnc(Cl)s2)c1=O
InChIInChI=1S/C13H10ClN3OS/c1-8-12(18)17(7-9-6-15-13(14)19-9)11-5-3-2-4-10(11)16-8/h2-6H,7H2,1H3
InChIKeyYXCRZLULQXREMH-UHFFFAOYSA-N
XLogP2.86
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.76
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-3-methylquinoxalin-2-one
CID 139051924
3-methyl-1-[(4-methylphenyl)methyl]quinoxalin-2-one
CID 13170889
1-[(4-bromothiophen-2-yl)methyl]-3-methylquinoxalin-2-one
CID 62375019
1-ethyl-3-methylquinoxalin-2-one
CID 139075519
2-methyl-5-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazole
CID 78971489
3-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]quinoxalin-2-one
CID 72940907
5-(carbazol-9-ylmethyl)-2-chloro-1,3-thiazole
CID 79764556
1-[(6-hydrazinyl-3-pyridinyl)methyl]-3-methylquinoxalin-2-one
CID 62374868
1-[(4-hydrazinyl-2-pyridinyl)methyl]-3-methylquinoxalin-2-one
CID 79262169
N,N-dimethyl-5-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]furan-2-sulfonamide
CID 53498937
3-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]furan-2-carboxylic acid
CID 62374530
5-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
CID 62374387

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methylquinoxalin-2-one?
The IUPAC name of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methylquinoxalin-2-one (CID 79765497) is 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methylquinoxalin-2-one.
What is the SMILES notation for 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methylquinoxalin-2-one?
The canonical SMILES for 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methylquinoxalin-2-one is Cc1nc2ccccc2n(Cc2cnc(Cl)s2)c1=O.
What is the InChIKey of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methylquinoxalin-2-one?
The InChIKey is YXCRZLULQXREMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3OS/c1-8-12(18)17(7-9-6-15-13(14)19-9)11-5-3-2-4-10(11)16-8/h2-6H,7H2,1H3.
What are the key properties of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methylquinoxalin-2-one?
1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methylquinoxalin-2-one has a molecular weight of 291.76 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methylquinoxalin-2-one is sourced from PubChem (CID 79765497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).