4-(3-fluoro-4-methoxybenzoyl)-1,3-dihydroquinoxalin-2-one

C16H13FN2O3 — CID 30713300

IUPAC4-(3-fluoro-4-methoxybenzoyl)-1,3-dihydroquinoxalin-2-one
SMILESCOc1ccc(C(=O)N2CC(=O)Nc3ccccc32)cc1F
InChIInChI=1S/C16H13FN2O3/c1-22-14-7-6-10(8-11(14)17)16(21)19-9-15(20)18-12-4-2-3-5-13(12)19/h2-8H,9H2,1H3,(H,18,20)
InChIKeyGFJWTWZDOLTWAZ-UHFFFAOYSA-N
MW300.29 g/mol
LogP2.43
Rot. Bonds2

About 4-(3-fluoro-4-methoxybenzoyl)-1,3-dihydroquinoxalin-2-one

4-(3-fluoro-4-methoxybenzoyl)-1,3-dihydroquinoxalin-2-one (PubChem CID 30713300) has the molecular formula C16H13FN2O3 and a molecular weight of 300.29 g/mol. Its IUPAC name is 4-(3-fluoro-4-methoxybenzoyl)-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-(3-fluoro-4-methoxybenzoyl)-1,3-dihydroquinoxalin-2-one
PubChem CID30713300
Molecular FormulaC16H13FN2O3
Molecular Weight300.29 g/mol
Exact Mass300.09
IUPAC Name4-(3-fluoro-4-methoxybenzoyl)-1,3-dihydroquinoxalin-2-one
SMILESCOc1ccc(C(=O)N2CC(=O)Nc3ccccc32)cc1F
InChIInChI=1S/C16H13FN2O3/c1-22-14-7-6-10(8-11(14)17)16(21)19-9-15(20)18-12-4-2-3-5-13(12)19/h2-8H,9H2,1H3,(H,18,20)
InChIKeyGFJWTWZDOLTWAZ-UHFFFAOYSA-N
XLogP2.43
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(3-fluoro-4-methoxyphenyl)acetyl]-1,3-dihydroquinoxalin-2-one
CID 17462364
3,4-dimethoxy-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide
CID 55750751
4-(3-fluorobenzoyl)-1,3-dihydroquinoxalin-2-one
CID 3159804
4-(2,5-dimethoxybenzoyl)-1,3-dihydroquinoxalin-2-one
CID 16864034
4-(2-fluoro-4-methoxybenzoyl)-1,3-dihydroquinoxalin-2-one
CID 24568356
4-(3,4-dihydroxybenzoyl)-1,3-dihydroquinoxalin-2-one
CID 103956224
4-[3,4-dimethoxy-5-[(E)-prop-1-enyl]benzoyl]-1,3-dihydroquinoxalin-2-one
CID 17466737
4-(3-chloro-4-methylbenzoyl)-1,3-dihydroquinoxalin-2-one
CID 63195251
4-(3-methylsulfanylbenzoyl)-1,3-dihydroquinoxalin-2-one
CID 16863988
4-[2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]acetyl]-1,3-dihydroquinoxalin-2-one
CID 9349298
ethyl-[(3-fluoro-4-methoxyphenyl)methyl]-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]azanium
CID 9349297
1-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-2-phenylethane-1,2-dione
CID 2445640

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-4-methoxybenzoyl)-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-(3-fluoro-4-methoxybenzoyl)-1,3-dihydroquinoxalin-2-one (CID 30713300) is 4-(3-fluoro-4-methoxybenzoyl)-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-(3-fluoro-4-methoxybenzoyl)-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-(3-fluoro-4-methoxybenzoyl)-1,3-dihydroquinoxalin-2-one is COc1ccc(C(=O)N2CC(=O)Nc3ccccc32)cc1F.
What is the InChIKey of 4-(3-fluoro-4-methoxybenzoyl)-1,3-dihydroquinoxalin-2-one?
The InChIKey is GFJWTWZDOLTWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O3/c1-22-14-7-6-10(8-11(14)17)16(21)19-9-15(20)18-12-4-2-3-5-13(12)19/h2-8H,9H2,1H3,(H,18,20).
What are the key properties of 4-(3-fluoro-4-methoxybenzoyl)-1,3-dihydroquinoxalin-2-one?
4-(3-fluoro-4-methoxybenzoyl)-1,3-dihydroquinoxalin-2-one has a molecular weight of 300.29 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-4-methoxybenzoyl)-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 30713300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).