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

C19H15N3O2S — CID 71925846

IUPAC4-[3-(2-methyl-1,3-thiazol-4-yl)benzoyl]-1,3-dihydroquinoxalin-2-one
SMILESCc1nc(-c2cccc(C(=O)N3CC(=O)Nc4ccccc43)c2)cs1
InChIInChI=1S/C19H15N3O2S/c1-12-20-16(11-25-12)13-5-4-6-14(9-13)19(24)22-10-18(23)21-15-7-2-3-8-17(15)22/h2-9,11H,10H2,1H3,(H,21,23)
InChIKeyIBVMHFHDMZSHEQ-UHFFFAOYSA-N
MW349.42 g/mol
LogP3.72
Rot. Bonds2

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

4-[3-(2-methyl-1,3-thiazol-4-yl)benzoyl]-1,3-dihydroquinoxalin-2-one (PubChem CID 71925846) has the molecular formula C19H15N3O2S and a molecular weight of 349.42 g/mol. Its IUPAC name is 4-[3-(2-methyl-1,3-thiazol-4-yl)benzoyl]-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-[3-(2-methyl-1,3-thiazol-4-yl)benzoyl]-1,3-dihydroquinoxalin-2-one
PubChem CID71925846
Molecular FormulaC19H15N3O2S
Molecular Weight349.42 g/mol
Exact Mass349.09
IUPAC Name4-[3-(2-methyl-1,3-thiazol-4-yl)benzoyl]-1,3-dihydroquinoxalin-2-one
SMILESCc1nc(-c2cccc(C(=O)N3CC(=O)Nc4ccccc43)c2)cs1
InChIInChI=1S/C19H15N3O2S/c1-12-20-16(11-25-12)13-5-4-6-14(9-13)19(24)22-10-18(23)21-15-7-2-3-8-17(15)22/h2-9,11H,10H2,1H3,(H,21,23)
InChIKeyIBVMHFHDMZSHEQ-UHFFFAOYSA-N
XLogP3.72
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]-1,3-dihydroquinoxalin-2-one
CID 27018519
4-(3-methylsulfanylbenzoyl)-1,3-dihydroquinoxalin-2-one
CID 16863988
ethane;[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-piperazin-1-ylmethanone
CID 143900231
4-(3H-benzimidazole-5-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 110667501
4-(3-chloro-4-methylbenzoyl)-1,3-dihydroquinoxalin-2-one
CID 63195251
4-[3-(chloromethyl)benzoyl]-1,3-dihydroquinoxalin-2-one
CID 43156396
1-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-2-phenylethane-1,2-dione
CID 2445640
4-[3-(methoxymethyl)benzoyl]-1,3-dihydroquinoxalin-2-one
CID 26263034
4-(3,4-dihydroxybenzoyl)-1,3-dihydroquinoxalin-2-one
CID 103956224
4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 16863960
4-(6-oxo-1H-pyridine-3-carbonyl)-1,3-dihydroquinoxalin-2-one;propane
CID 170568760
4-(3-amino-1H-pyrazole-5-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 64524021

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-methyl-1,3-thiazol-4-yl)benzoyl]-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-[3-(2-methyl-1,3-thiazol-4-yl)benzoyl]-1,3-dihydroquinoxalin-2-one (CID 71925846) is 4-[3-(2-methyl-1,3-thiazol-4-yl)benzoyl]-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-[3-(2-methyl-1,3-thiazol-4-yl)benzoyl]-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-[3-(2-methyl-1,3-thiazol-4-yl)benzoyl]-1,3-dihydroquinoxalin-2-one is Cc1nc(-c2cccc(C(=O)N3CC(=O)Nc4ccccc43)c2)cs1.
What is the InChIKey of 4-[3-(2-methyl-1,3-thiazol-4-yl)benzoyl]-1,3-dihydroquinoxalin-2-one?
The InChIKey is IBVMHFHDMZSHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2S/c1-12-20-16(11-25-12)13-5-4-6-14(9-13)19(24)22-10-18(23)21-15-7-2-3-8-17(15)22/h2-9,11H,10H2,1H3,(H,21,23).
What are the key properties of 4-[3-(2-methyl-1,3-thiazol-4-yl)benzoyl]-1,3-dihydroquinoxalin-2-one?
4-[3-(2-methyl-1,3-thiazol-4-yl)benzoyl]-1,3-dihydroquinoxalin-2-one has a molecular weight of 349.42 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-methyl-1,3-thiazol-4-yl)benzoyl]-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 71925846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).