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

C27H27N3O3 — CID 2527069

IUPAC3-[4-(4-methoxyphenyl)-3-oxoquinoxalin-2-yl]-N-methyl-N-[(2-methylphenyl)methyl]propanamide
SMILESCOc1ccc(-n2c(=O)c(CCC(=O)N(C)Cc3ccccc3C)nc3ccccc32)cc1
InChIInChI=1S/C27H27N3O3/c1-19-8-4-5-9-20(19)18-29(2)26(31)17-16-24-27(32)30(21-12-14-22(33-3)15-13-21)25-11-7-6-10-23(25)28-24/h4-15H,16-18H2,1-3H3
InChIKeyCQIPYAQFCLGJHR-UHFFFAOYSA-N
MW441.53 g/mol
LogP4.29
Rot. Bonds7

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

3-[4-(4-methoxyphenyl)-3-oxoquinoxalin-2-yl]-N-methyl-N-[(2-methylphenyl)methyl]propanamide (PubChem CID 2527069) has the molecular formula C27H27N3O3 and a molecular weight of 441.53 g/mol. Its IUPAC name is 3-[4-(4-methoxyphenyl)-3-oxoquinoxalin-2-yl]-N-methyl-N-[(2-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[4-(4-methoxyphenyl)-3-oxoquinoxalin-2-yl]-N-methyl-N-[(2-methylphenyl)methyl]propanamide
PubChem CID2527069
Molecular FormulaC27H27N3O3
Molecular Weight441.53 g/mol
Exact Mass441.21
IUPAC Name3-[4-(4-methoxyphenyl)-3-oxoquinoxalin-2-yl]-N-methyl-N-[(2-methylphenyl)methyl]propanamide
SMILESCOc1ccc(-n2c(=O)c(CCC(=O)N(C)Cc3ccccc3C)nc3ccccc32)cc1
InChIInChI=1S/C27H27N3O3/c1-19-8-4-5-9-20(19)18-29(2)26(31)17-16-24-27(32)30(21-12-14-22(33-3)15-13-21)25-11-7-6-10-23(25)28-24/h4-15H,16-18H2,1-3H3
InChIKeyCQIPYAQFCLGJHR-UHFFFAOYSA-N
XLogP4.29
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methoxyphenyl)-3-oxoquinoxalin-2-yl]-N-methyl-N-[(2-methylphenyl)methyl]propanamide?
The IUPAC name of 3-[4-(4-methoxyphenyl)-3-oxoquinoxalin-2-yl]-N-methyl-N-[(2-methylphenyl)methyl]propanamide (CID 2527069) is 3-[4-(4-methoxyphenyl)-3-oxoquinoxalin-2-yl]-N-methyl-N-[(2-methylphenyl)methyl]propanamide.
What is the SMILES notation for 3-[4-(4-methoxyphenyl)-3-oxoquinoxalin-2-yl]-N-methyl-N-[(2-methylphenyl)methyl]propanamide?
The canonical SMILES for 3-[4-(4-methoxyphenyl)-3-oxoquinoxalin-2-yl]-N-methyl-N-[(2-methylphenyl)methyl]propanamide is COc1ccc(-n2c(=O)c(CCC(=O)N(C)Cc3ccccc3C)nc3ccccc32)cc1.
What is the InChIKey of 3-[4-(4-methoxyphenyl)-3-oxoquinoxalin-2-yl]-N-methyl-N-[(2-methylphenyl)methyl]propanamide?
The InChIKey is CQIPYAQFCLGJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O3/c1-19-8-4-5-9-20(19)18-29(2)26(31)17-16-24-27(32)30(21-12-14-22(33-3)15-13-21)25-11-7-6-10-23(25)28-24/h4-15H,16-18H2,1-3H3.
What are the key properties of 3-[4-(4-methoxyphenyl)-3-oxoquinoxalin-2-yl]-N-methyl-N-[(2-methylphenyl)methyl]propanamide?
3-[4-(4-methoxyphenyl)-3-oxoquinoxalin-2-yl]-N-methyl-N-[(2-methylphenyl)methyl]propanamide has a molecular weight of 441.53 g/mol, XLogP of 4.29, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-methoxyphenyl)-3-oxoquinoxalin-2-yl]-N-methyl-N-[(2-methylphenyl)methyl]propanamide is sourced from PubChem (CID 2527069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).