N-[(4-fluorophenyl)methyl]-3-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]propanamide

C26H24FN3O2 — CID 3436431

IUPACN-[(4-fluorophenyl)methyl]-3-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]propanamide
SMILESCc1ccc(Cn2c(=O)c(CCC(=O)NCc3ccc(F)cc3)nc3ccccc32)cc1
InChIInChI=1S/C26H24FN3O2/c1-18-6-8-20(9-7-18)17-30-24-5-3-2-4-22(24)29-23(26(30)32)14-15-25(31)28-16-19-10-12-21(27)13-11-19/h2-13H,14-17H2,1H3,(H,28,31)
InChIKeyLARFLTXOWRMMMM-UHFFFAOYSA-N
MW429.50 g/mol
LogP4.14
Rot. Bonds7

About N-[(4-fluorophenyl)methyl]-3-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]propanamide

N-[(4-fluorophenyl)methyl]-3-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]propanamide (PubChem CID 3436431) has the molecular formula C26H24FN3O2 and a molecular weight of 429.50 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]propanamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]propanamide
PubChem CID3436431
Molecular FormulaC26H24FN3O2
Molecular Weight429.50 g/mol
Exact Mass429.19
IUPAC NameN-[(4-fluorophenyl)methyl]-3-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]propanamide
SMILESCc1ccc(Cn2c(=O)c(CCC(=O)NCc3ccc(F)cc3)nc3ccccc32)cc1
InChIInChI=1S/C26H24FN3O2/c1-18-6-8-20(9-7-18)17-30-24-5-3-2-4-22(24)29-23(26(30)32)14-15-25(31)28-16-19-10-12-21(27)13-11-19/h2-13H,14-17H2,1H3,(H,28,31)
InChIKeyLARFLTXOWRMMMM-UHFFFAOYSA-N
XLogP4.14
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]propanamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]propanamide (CID 3436431) is N-[(4-fluorophenyl)methyl]-3-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]propanamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]propanamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]propanamide is Cc1ccc(Cn2c(=O)c(CCC(=O)NCc3ccc(F)cc3)nc3ccccc32)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]propanamide?
The InChIKey is LARFLTXOWRMMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN3O2/c1-18-6-8-20(9-7-18)17-30-24-5-3-2-4-22(24)29-23(26(30)32)14-15-25(31)28-16-19-10-12-21(27)13-11-19/h2-13H,14-17H2,1H3,(H,28,31).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]propanamide?
N-[(4-fluorophenyl)methyl]-3-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]propanamide has a molecular weight of 429.50 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]propanamide is sourced from PubChem (CID 3436431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).