N-[(3-fluorophenyl)methyl]-3-(4-methyl-2,3-dioxoquinoxalin-1-yl)propanamide

C19H18FN3O3 — CID 50815571

IUPACN-[(3-fluorophenyl)methyl]-3-(4-methyl-2,3-dioxoquinoxalin-1-yl)propanamide
SMILESCn1c(=O)c(=O)n(CCC(=O)NCc2cccc(F)c2)c2ccccc21
InChIInChI=1S/C19H18FN3O3/c1-22-15-7-2-3-8-16(15)23(19(26)18(22)25)10-9-17(24)21-12-13-5-4-6-14(20)11-13/h2-8,11H,9-10,12H2,1H3,(H,21,24)
InChIKeySYILANABOXVJSE-UHFFFAOYSA-N
MW355.37 g/mol
LogP1.55
Rot. Bonds5

About N-[(3-fluorophenyl)methyl]-3-(4-methyl-2,3-dioxoquinoxalin-1-yl)propanamide

N-[(3-fluorophenyl)methyl]-3-(4-methyl-2,3-dioxoquinoxalin-1-yl)propanamide (PubChem CID 50815571) has the molecular formula C19H18FN3O3 and a molecular weight of 355.37 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-3-(4-methyl-2,3-dioxoquinoxalin-1-yl)propanamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-3-(4-methyl-2,3-dioxoquinoxalin-1-yl)propanamide
PubChem CID50815571
Molecular FormulaC19H18FN3O3
Molecular Weight355.37 g/mol
Exact Mass355.13
IUPAC NameN-[(3-fluorophenyl)methyl]-3-(4-methyl-2,3-dioxoquinoxalin-1-yl)propanamide
SMILESCn1c(=O)c(=O)n(CCC(=O)NCc2cccc(F)c2)c2ccccc21
InChIInChI=1S/C19H18FN3O3/c1-22-15-7-2-3-8-16(15)23(19(26)18(22)25)10-9-17(24)21-12-13-5-4-6-14(20)11-13/h2-8,11H,9-10,12H2,1H3,(H,21,24)
InChIKeySYILANABOXVJSE-UHFFFAOYSA-N
XLogP1.55
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[(3-fluorophenyl)methyl]-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide
CID 46324640
3-(2,3-dioxo-4-prop-2-enylquinoxalin-1-yl)-N-[(3-methylphenyl)methyl]propanamide
CID 50815573
2-(2,3-dioxo-4-prop-2-enylquinoxalin-1-yl)-N-[(3-fluorophenyl)methyl]acetamide
CID 50802505
N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-2-(3-fluorophenyl)acetamide
CID 110785396
N-(3-methylbutyl)-3-(4-methyl-2,3-dioxoquinoxalin-1-yl)propanamide
CID 50815586
4-[(3-fluorophenyl)methylamino]-4-oxobutanoic acid
CID 43529773
N-[2-(4-benzylpiperidin-1-yl)ethyl]-3-(4-methyl-2,3-dioxoquinoxalin-1-yl)propanamide
CID 50815798
N-[(3-fluorophenyl)methyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 47161044
N-[2-(3-fluorophenyl)ethyl]-3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide
CID 24550702
2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-[(3-fluorophenyl)methyl]acetamide
CID 55576879
2-(3-fluorophenyl)-N-[2-(3-methyl-2-oxoquinolin-1-yl)ethyl]acetamide
CID 110707094
4-amino-N-[(3-fluorophenyl)methyl]butanamide;hydrochloride
CID 119279529

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-3-(4-methyl-2,3-dioxoquinoxalin-1-yl)propanamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-3-(4-methyl-2,3-dioxoquinoxalin-1-yl)propanamide (CID 50815571) is N-[(3-fluorophenyl)methyl]-3-(4-methyl-2,3-dioxoquinoxalin-1-yl)propanamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-3-(4-methyl-2,3-dioxoquinoxalin-1-yl)propanamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-3-(4-methyl-2,3-dioxoquinoxalin-1-yl)propanamide is Cn1c(=O)c(=O)n(CCC(=O)NCc2cccc(F)c2)c2ccccc21.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-3-(4-methyl-2,3-dioxoquinoxalin-1-yl)propanamide?
The InChIKey is SYILANABOXVJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3/c1-22-15-7-2-3-8-16(15)23(19(26)18(22)25)10-9-17(24)21-12-13-5-4-6-14(20)11-13/h2-8,11H,9-10,12H2,1H3,(H,21,24).
What are the key properties of N-[(3-fluorophenyl)methyl]-3-(4-methyl-2,3-dioxoquinoxalin-1-yl)propanamide?
N-[(3-fluorophenyl)methyl]-3-(4-methyl-2,3-dioxoquinoxalin-1-yl)propanamide has a molecular weight of 355.37 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-3-(4-methyl-2,3-dioxoquinoxalin-1-yl)propanamide is sourced from PubChem (CID 50815571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).