N-[2-[4-[2-(2-fluoroanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-4-methylphenyl]propanamide

C26H23FN4O3 — CID 46367566

IUPACN-[2-[4-[2-(2-fluoroanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-4-methylphenyl]propanamide
SMILESCCC(=O)Nc1ccc(C)cc1-c1nc2ccccc2n(CC(=O)Nc2ccccc2F)c1=O
InChIInChI=1S/C26H23FN4O3/c1-3-23(32)28-19-13-12-16(2)14-17(19)25-26(34)31(22-11-7-6-10-21(22)30-25)15-24(33)29-20-9-5-4-8-18(20)27/h4-14H,3,15H2,1-2H3,(H,28,32)(H,29,33)
InChIKeyMDQQDTULKWURQO-UHFFFAOYSA-N
MW458.49 g/mol
LogP4.50
Rot. Bonds6

About N-[2-[4-[2-(2-fluoroanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-4-methylphenyl]propanamide

N-[2-[4-[2-(2-fluoroanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-4-methylphenyl]propanamide (PubChem CID 46367566) has the molecular formula C26H23FN4O3 and a molecular weight of 458.49 g/mol. Its IUPAC name is N-[2-[4-[2-(2-fluoroanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-4-methylphenyl]propanamide.

Molecular Properties

Compound NameN-[2-[4-[2-(2-fluoroanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-4-methylphenyl]propanamide
PubChem CID46367566
Molecular FormulaC26H23FN4O3
Molecular Weight458.49 g/mol
Exact Mass458.18
IUPAC NameN-[2-[4-[2-(2-fluoroanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-4-methylphenyl]propanamide
SMILESCCC(=O)Nc1ccc(C)cc1-c1nc2ccccc2n(CC(=O)Nc2ccccc2F)c1=O
InChIInChI=1S/C26H23FN4O3/c1-3-23(32)28-19-13-12-16(2)14-17(19)25-26(34)31(22-11-7-6-10-21(22)30-25)15-24(33)29-20-9-5-4-8-18(20)27/h4-14H,3,15H2,1-2H3,(H,28,32)(H,29,33)
InChIKeyMDQQDTULKWURQO-UHFFFAOYSA-N
XLogP4.50
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.49
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[2-(2-fluoroanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-4-methylphenyl]propanamide?
The IUPAC name of N-[2-[4-[2-(2-fluoroanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-4-methylphenyl]propanamide (CID 46367566) is N-[2-[4-[2-(2-fluoroanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-4-methylphenyl]propanamide.
What is the SMILES notation for N-[2-[4-[2-(2-fluoroanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-4-methylphenyl]propanamide?
The canonical SMILES for N-[2-[4-[2-(2-fluoroanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-4-methylphenyl]propanamide is CCC(=O)Nc1ccc(C)cc1-c1nc2ccccc2n(CC(=O)Nc2ccccc2F)c1=O.
What is the InChIKey of N-[2-[4-[2-(2-fluoroanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-4-methylphenyl]propanamide?
The InChIKey is MDQQDTULKWURQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN4O3/c1-3-23(32)28-19-13-12-16(2)14-17(19)25-26(34)31(22-11-7-6-10-21(22)30-25)15-24(33)29-20-9-5-4-8-18(20)27/h4-14H,3,15H2,1-2H3,(H,28,32)(H,29,33).
What are the key properties of N-[2-[4-[2-(2-fluoroanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-4-methylphenyl]propanamide?
N-[2-[4-[2-(2-fluoroanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-4-methylphenyl]propanamide has a molecular weight of 458.49 g/mol, XLogP of 4.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[2-(2-fluoroanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-4-methylphenyl]propanamide is sourced from PubChem (CID 46367566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).