N-(3-fluorophenyl)-3-oxo-2,4-dihydroquinoxaline-1-carboxamide;propane

C18H20FN3O2 — CID 170568802

IUPACN-(3-fluorophenyl)-3-oxo-2,4-dihydroquinoxaline-1-carboxamide;propane
SMILESCCC.O=C1CN(C(=O)Nc2cccc(F)c2)c2ccccc2N1
InChIInChI=1S/C15H12FN3O2.C3H8/c16-10-4-3-5-11(8-10)17-15(21)19-9-14(20)18-12-6-1-2-7-13(12)19;1-3-2/h1-8H,9H2,(H,17,21)(H,18,20);3H2,1-2H3
InChIKeyOUCKUGLEJFATCY-UHFFFAOYSA-N
MW329.38 g/mol
LogP4.23
Rot. Bonds1

About N-(3-fluorophenyl)-3-oxo-2,4-dihydroquinoxaline-1-carboxamide;propane

N-(3-fluorophenyl)-3-oxo-2,4-dihydroquinoxaline-1-carboxamide;propane (PubChem CID 170568802) has the molecular formula C18H20FN3O2 and a molecular weight of 329.38 g/mol. Its IUPAC name is N-(3-fluorophenyl)-3-oxo-2,4-dihydroquinoxaline-1-carboxamide;propane.

Molecular Properties

Compound NameN-(3-fluorophenyl)-3-oxo-2,4-dihydroquinoxaline-1-carboxamide;propane
PubChem CID170568802
Molecular FormulaC18H20FN3O2
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC NameN-(3-fluorophenyl)-3-oxo-2,4-dihydroquinoxaline-1-carboxamide;propane
SMILESCCC.O=C1CN(C(=O)Nc2cccc(F)c2)c2ccccc2N1
InChIInChI=1S/C15H12FN3O2.C3H8/c16-10-4-3-5-11(8-10)17-15(21)19-9-14(20)18-12-6-1-2-7-13(12)19;1-3-2/h1-8H,9H2,(H,17,21)(H,18,20);3H2,1-2H3
InChIKeyOUCKUGLEJFATCY-UHFFFAOYSA-N
XLogP4.23
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-4-fluorophenyl)-3-oxo-2,4-dihydroquinoxaline-1-carboxamide
CID 84524812
N-(4-methylphenyl)-3-oxo-2,4-dihydroquinoxaline-1-carboxamide
CID 60639702
N-(3-fluorophenyl)-1,2,3,4-tetrahydro-1,5-benzodiazepine-5-carboxamide
CID 64851405
4-(3-fluorobenzoyl)-1,3-dihydroquinoxalin-2-one
CID 3159804
3-acetamido-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide
CID 55751098
4-(2,3-difluorobenzoyl)-1,3-dihydroquinoxalin-2-one
CID 60620753
4-[2-(ethylamino)-2-methylpropanoyl]-1,3-dihydroquinoxalin-2-one
CID 62833211
(2S,3S)-3-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]pentanoate
CID 7647437
(5R)-5-ethyl-5-(4-fluorophenyl)-3-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]imidazolidine-2,4-dione
CID 7181234
ethane;4-[3-(2-hydroxyethylamino)propanoyl]-1,3-dihydroquinoxalin-2-one;propane
CID 163261655
2-[[2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]acetyl]amino]propanoic acid
CID 78446048
4-[2-[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetyl]-1,3-dihydroquinoxalin-2-one
CID 9133688

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-3-oxo-2,4-dihydroquinoxaline-1-carboxamide;propane?
The IUPAC name of N-(3-fluorophenyl)-3-oxo-2,4-dihydroquinoxaline-1-carboxamide;propane (CID 170568802) is N-(3-fluorophenyl)-3-oxo-2,4-dihydroquinoxaline-1-carboxamide;propane.
What is the SMILES notation for N-(3-fluorophenyl)-3-oxo-2,4-dihydroquinoxaline-1-carboxamide;propane?
The canonical SMILES for N-(3-fluorophenyl)-3-oxo-2,4-dihydroquinoxaline-1-carboxamide;propane is CCC.O=C1CN(C(=O)Nc2cccc(F)c2)c2ccccc2N1.
What is the InChIKey of N-(3-fluorophenyl)-3-oxo-2,4-dihydroquinoxaline-1-carboxamide;propane?
The InChIKey is OUCKUGLEJFATCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O2.C3H8/c16-10-4-3-5-11(8-10)17-15(21)19-9-14(20)18-12-6-1-2-7-13(12)19;1-3-2/h1-8H,9H2,(H,17,21)(H,18,20);3H2,1-2H3.
What are the key properties of N-(3-fluorophenyl)-3-oxo-2,4-dihydroquinoxaline-1-carboxamide;propane?
N-(3-fluorophenyl)-3-oxo-2,4-dihydroquinoxaline-1-carboxamide;propane has a molecular weight of 329.38 g/mol, XLogP of 4.23, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-3-oxo-2,4-dihydroquinoxaline-1-carboxamide;propane is sourced from PubChem (CID 170568802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).