N-(4-fluorophenyl)-2-[methyl(quinoxalin-2-ylmethyl)amino]propanamide

C19H19FN4O — CID 91831576

IUPACN-(4-fluorophenyl)-2-[methyl(quinoxalin-2-ylmethyl)amino]propanamide
SMILESCC(C(=O)Nc1ccc(F)cc1)N(C)Cc1cnc2ccccc2n1
InChIInChI=1S/C19H19FN4O/c1-13(19(25)23-15-9-7-14(20)8-10-15)24(2)12-16-11-21-17-5-3-4-6-18(17)22-16/h3-11,13H,12H2,1-2H3,(H,23,25)
InChIKeyPDGQABXWHUAHHA-UHFFFAOYSA-N
MW338.39 g/mol
LogP3.23
Rot. Bonds5

About N-(4-fluorophenyl)-2-[methyl(quinoxalin-2-ylmethyl)amino]propanamide

N-(4-fluorophenyl)-2-[methyl(quinoxalin-2-ylmethyl)amino]propanamide (PubChem CID 91831576) has the molecular formula C19H19FN4O and a molecular weight of 338.39 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[methyl(quinoxalin-2-ylmethyl)amino]propanamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[methyl(quinoxalin-2-ylmethyl)amino]propanamide
PubChem CID91831576
Molecular FormulaC19H19FN4O
Molecular Weight338.39 g/mol
Exact Mass338.15
IUPAC NameN-(4-fluorophenyl)-2-[methyl(quinoxalin-2-ylmethyl)amino]propanamide
SMILESCC(C(=O)Nc1ccc(F)cc1)N(C)Cc1cnc2ccccc2n1
InChIInChI=1S/C19H19FN4O/c1-13(19(25)23-15-9-7-14(20)8-10-15)24(2)12-16-11-21-17-5-3-4-6-18(17)22-16/h3-11,13H,12H2,1-2H3,(H,23,25)
InChIKeyPDGQABXWHUAHHA-UHFFFAOYSA-N
XLogP3.23
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[methyl(quinoxalin-2-ylmethyl)amino]propanamide?
The IUPAC name of N-(4-fluorophenyl)-2-[methyl(quinoxalin-2-ylmethyl)amino]propanamide (CID 91831576) is N-(4-fluorophenyl)-2-[methyl(quinoxalin-2-ylmethyl)amino]propanamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[methyl(quinoxalin-2-ylmethyl)amino]propanamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[methyl(quinoxalin-2-ylmethyl)amino]propanamide is CC(C(=O)Nc1ccc(F)cc1)N(C)Cc1cnc2ccccc2n1.
What is the InChIKey of N-(4-fluorophenyl)-2-[methyl(quinoxalin-2-ylmethyl)amino]propanamide?
The InChIKey is PDGQABXWHUAHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O/c1-13(19(25)23-15-9-7-14(20)8-10-15)24(2)12-16-11-21-17-5-3-4-6-18(17)22-16/h3-11,13H,12H2,1-2H3,(H,23,25).
What are the key properties of N-(4-fluorophenyl)-2-[methyl(quinoxalin-2-ylmethyl)amino]propanamide?
N-(4-fluorophenyl)-2-[methyl(quinoxalin-2-ylmethyl)amino]propanamide has a molecular weight of 338.39 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[methyl(quinoxalin-2-ylmethyl)amino]propanamide is sourced from PubChem (CID 91831576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).