4-[3-(methoxymethyl)benzoyl]-1,3-dihydroquinoxalin-2-one

C17H16N2O3 — CID 26263034

IUPAC4-[3-(methoxymethyl)benzoyl]-1,3-dihydroquinoxalin-2-one
SMILESCOCc1cccc(C(=O)N2CC(=O)Nc3ccccc32)c1
InChIInChI=1S/C17H16N2O3/c1-22-11-12-5-4-6-13(9-12)17(21)19-10-16(20)18-14-7-2-3-8-15(14)19/h2-9H,10-11H2,1H3,(H,18,20)
InChIKeyOKUYHYWFRSRVQT-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.43
Rot. Bonds3

About 4-[3-(methoxymethyl)benzoyl]-1,3-dihydroquinoxalin-2-one

4-[3-(methoxymethyl)benzoyl]-1,3-dihydroquinoxalin-2-one (PubChem CID 26263034) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 4-[3-(methoxymethyl)benzoyl]-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-[3-(methoxymethyl)benzoyl]-1,3-dihydroquinoxalin-2-one
PubChem CID26263034
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name4-[3-(methoxymethyl)benzoyl]-1,3-dihydroquinoxalin-2-one
SMILESCOCc1cccc(C(=O)N2CC(=O)Nc3ccccc32)c1
InChIInChI=1S/C17H16N2O3/c1-22-11-12-5-4-6-13(9-12)17(21)19-10-16(20)18-14-7-2-3-8-15(14)19/h2-9H,10-11H2,1H3,(H,18,20)
InChIKeyOKUYHYWFRSRVQT-UHFFFAOYSA-N
XLogP2.43
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(chloromethyl)benzoyl]-1,3-dihydroquinoxalin-2-one
CID 43156396
4-[3-(morpholin-4-ylmethyl)benzoyl]-1,3-dihydroquinoxalin-2-one
CID 30398183
4-(3-fluorobenzoyl)-1,3-dihydroquinoxalin-2-one
CID 3159804
4-(3-methylsulfanylbenzoyl)-1,3-dihydroquinoxalin-2-one
CID 16863988
4-bromo-N-methyl-N-[[3-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]methyl]benzenesulfonamide
CID 59700592
4-[3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]benzoyl]-1,3-dihydroquinoxalin-2-one
CID 38098863
1-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-2-phenylethane-1,2-dione
CID 2445640
4-(3-fluoro-4-methoxybenzoyl)-1,3-dihydroquinoxalin-2-one
CID 30713300
4-(3,4-dihydroxybenzoyl)-1,3-dihydroquinoxalin-2-one
CID 103956224
4-[4-(chloromethyl)benzoyl]-1,3-dihydroquinoxalin-2-one
CID 43333513
4-(3-chloro-4-methylbenzoyl)-1,3-dihydroquinoxalin-2-one
CID 63195251
4-(2-methylpyridine-4-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 106753524

Frequently Asked Questions

What is the IUPAC name of 4-[3-(methoxymethyl)benzoyl]-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-[3-(methoxymethyl)benzoyl]-1,3-dihydroquinoxalin-2-one (CID 26263034) is 4-[3-(methoxymethyl)benzoyl]-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-[3-(methoxymethyl)benzoyl]-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-[3-(methoxymethyl)benzoyl]-1,3-dihydroquinoxalin-2-one is COCc1cccc(C(=O)N2CC(=O)Nc3ccccc32)c1.
What is the InChIKey of 4-[3-(methoxymethyl)benzoyl]-1,3-dihydroquinoxalin-2-one?
The InChIKey is OKUYHYWFRSRVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-22-11-12-5-4-6-13(9-12)17(21)19-10-16(20)18-14-7-2-3-8-15(14)19/h2-9H,10-11H2,1H3,(H,18,20).
What are the key properties of 4-[3-(methoxymethyl)benzoyl]-1,3-dihydroquinoxalin-2-one?
4-[3-(methoxymethyl)benzoyl]-1,3-dihydroquinoxalin-2-one has a molecular weight of 296.33 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(methoxymethyl)benzoyl]-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 26263034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).