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

C20H21N3O3 — CID 30398183

IUPAC4-[3-(morpholin-4-ylmethyl)benzoyl]-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C(=O)c2cccc(CN3CCOCC3)c2)c2ccccc2N1
InChIInChI=1S/C20H21N3O3/c24-19-14-23(18-7-2-1-6-17(18)21-19)20(25)16-5-3-4-15(12-16)13-22-8-10-26-11-9-22/h1-7,12H,8-11,13-14H2,(H,21,24)
InChIKeyDEOOZVHKPWNACD-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.12
Rot. Bonds3

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

4-[3-(morpholin-4-ylmethyl)benzoyl]-1,3-dihydroquinoxalin-2-one (PubChem CID 30398183) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 4-[3-(morpholin-4-ylmethyl)benzoyl]-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-[3-(morpholin-4-ylmethyl)benzoyl]-1,3-dihydroquinoxalin-2-one
PubChem CID30398183
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name4-[3-(morpholin-4-ylmethyl)benzoyl]-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C(=O)c2cccc(CN3CCOCC3)c2)c2ccccc2N1
InChIInChI=1S/C20H21N3O3/c24-19-14-23(18-7-2-1-6-17(18)21-19)20(25)16-5-3-4-15(12-16)13-22-8-10-26-11-9-22/h1-7,12H,8-11,13-14H2,(H,21,24)
InChIKeyDEOOZVHKPWNACD-UHFFFAOYSA-N
XLogP2.12
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]benzoyl]-1,3-dihydroquinoxalin-2-one
CID 38098863
4-[3-(chloromethyl)benzoyl]-1,3-dihydroquinoxalin-2-one
CID 43156396
4-[3-(methoxymethyl)benzoyl]-1,3-dihydroquinoxalin-2-one
CID 26263034
4-(3-morpholin-4-ylsulfonylbenzoyl)-1,3-dihydroquinoxalin-2-one
CID 43004414
4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 16863954
bis[3-(morpholin-4-ylmethyl)phenyl]methanone
CID 152548032
5-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)furan-3-carboxylic acid
CID 104607120
4-(3-methylsulfanylbenzoyl)-1,3-dihydroquinoxalin-2-one
CID 16863988
1-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-2-phenylethane-1,2-dione
CID 2445640
4-(3,4-dihydroxybenzoyl)-1,3-dihydroquinoxalin-2-one
CID 103956224
4-[4-(chloromethyl)benzoyl]-1,3-dihydroquinoxalin-2-one
CID 43333513
4-bromo-N-methyl-N-[[3-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]methyl]benzenesulfonamide
CID 59700592

Frequently Asked Questions

What is the IUPAC name of 4-[3-(morpholin-4-ylmethyl)benzoyl]-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-[3-(morpholin-4-ylmethyl)benzoyl]-1,3-dihydroquinoxalin-2-one (CID 30398183) is 4-[3-(morpholin-4-ylmethyl)benzoyl]-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-[3-(morpholin-4-ylmethyl)benzoyl]-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-[3-(morpholin-4-ylmethyl)benzoyl]-1,3-dihydroquinoxalin-2-one is O=C1CN(C(=O)c2cccc(CN3CCOCC3)c2)c2ccccc2N1.
What is the InChIKey of 4-[3-(morpholin-4-ylmethyl)benzoyl]-1,3-dihydroquinoxalin-2-one?
The InChIKey is DEOOZVHKPWNACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c24-19-14-23(18-7-2-1-6-17(18)21-19)20(25)16-5-3-4-15(12-16)13-22-8-10-26-11-9-22/h1-7,12H,8-11,13-14H2,(H,21,24).
What are the key properties of 4-[3-(morpholin-4-ylmethyl)benzoyl]-1,3-dihydroquinoxalin-2-one?
4-[3-(morpholin-4-ylmethyl)benzoyl]-1,3-dihydroquinoxalin-2-one has a molecular weight of 351.41 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(morpholin-4-ylmethyl)benzoyl]-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 30398183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).