4-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]-1,3-dihydroquinoxalin-2-one

C20H17N3O3S — CID 27018519

IUPAC4-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]-1,3-dihydroquinoxalin-2-one
SMILESCc1nc(COc2cccc(C(=O)N3CC(=O)Nc4ccccc43)c2)cs1
InChIInChI=1S/C20H17N3O3S/c1-13-21-15(12-27-13)11-26-16-6-4-5-14(9-16)20(25)23-10-19(24)22-17-7-2-3-8-18(17)23/h2-9,12H,10-11H2,1H3,(H,22,24)
InChIKeyZVJVGXVSXRYOHQ-UHFFFAOYSA-N
MW379.44 g/mol
LogP3.63
Rot. Bonds4

About 4-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]-1,3-dihydroquinoxalin-2-one

4-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]-1,3-dihydroquinoxalin-2-one (PubChem CID 27018519) has the molecular formula C20H17N3O3S and a molecular weight of 379.44 g/mol. Its IUPAC name is 4-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]-1,3-dihydroquinoxalin-2-one
PubChem CID27018519
Molecular FormulaC20H17N3O3S
Molecular Weight379.44 g/mol
Exact Mass379.10
IUPAC Name4-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]-1,3-dihydroquinoxalin-2-one
SMILESCc1nc(COc2cccc(C(=O)N3CC(=O)Nc4ccccc43)c2)cs1
InChIInChI=1S/C20H17N3O3S/c1-13-21-15(12-27-13)11-26-16-6-4-5-14(9-16)20(25)23-10-19(24)22-17-7-2-3-8-18(17)23/h2-9,12H,10-11H2,1H3,(H,22,24)
InChIKeyZVJVGXVSXRYOHQ-UHFFFAOYSA-N
XLogP3.63
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(2-methyl-1,3-thiazol-4-yl)benzoyl]-1,3-dihydroquinoxalin-2-one
CID 71925846
[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
CID 27730702
(2R)-N,N-dimethyl-4-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 97074025
[2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
CID 46660744
4-[3-(methoxymethyl)benzoyl]-1,3-dihydroquinoxalin-2-one
CID 26263034
(4-amino-3,3-dimethylpiperidin-1-yl)-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanone
CID 120814742
4-(2-methylpyridine-4-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 106753524
[(3S)-3-aminopiperidin-1-yl]-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanone
CID 124628209
[4-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanone
CID 95778296
(3R)-1-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]piperidine-3-carboxylic acid
CID 124574822
[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
CID 86859757
[(2R,5R)-2,5-dimethylmorpholin-4-yl]-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanone
CID 94051440

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]-1,3-dihydroquinoxalin-2-one (CID 27018519) is 4-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]-1,3-dihydroquinoxalin-2-one is Cc1nc(COc2cccc(C(=O)N3CC(=O)Nc4ccccc43)c2)cs1.
What is the InChIKey of 4-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]-1,3-dihydroquinoxalin-2-one?
The InChIKey is ZVJVGXVSXRYOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3S/c1-13-21-15(12-27-13)11-26-16-6-4-5-14(9-16)20(25)23-10-19(24)22-17-7-2-3-8-18(17)23/h2-9,12H,10-11H2,1H3,(H,22,24).
What are the key properties of 4-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]-1,3-dihydroquinoxalin-2-one?
4-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]-1,3-dihydroquinoxalin-2-one has a molecular weight of 379.44 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 27018519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).