N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide

C24H27N3O4 — CID 71709825

IUPACN-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide
SMILESCOc1ccc(C2(CNC(=O)Cn3c(=O)c(C)nc4ccccc43)CCOCC2)cc1
InChIInChI=1S/C24H27N3O4/c1-17-23(29)27(21-6-4-3-5-20(21)26-17)15-22(28)25-16-24(11-13-31-14-12-24)18-7-9-19(30-2)10-8-18/h3-10H,11-16H2,1-2H3,(H,25,28)
InChIKeyXBQYUBXZGAHMQP-UHFFFAOYSA-N
MW421.50 g/mol
LogP2.58
Rot. Bonds6

About N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide

N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide (PubChem CID 71709825) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide.

Molecular Properties

Compound NameN-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide
PubChem CID71709825
Molecular FormulaC24H27N3O4
Molecular Weight421.50 g/mol
Exact Mass421.20
IUPAC NameN-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide
SMILESCOc1ccc(C2(CNC(=O)Cn3c(=O)c(C)nc4ccccc43)CCOCC2)cc1
InChIInChI=1S/C24H27N3O4/c1-17-23(29)27(21-6-4-3-5-20(21)26-17)15-22(28)25-16-24(11-13-31-14-12-24)18-7-9-19(30-2)10-8-18/h3-10H,11-16H2,1-2H3,(H,25,28)
InChIKeyXBQYUBXZGAHMQP-UHFFFAOYSA-N
XLogP2.58
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide?
The IUPAC name of N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide (CID 71709825) is N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide.
What is the SMILES notation for N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide?
The canonical SMILES for N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide is COc1ccc(C2(CNC(=O)Cn3c(=O)c(C)nc4ccccc43)CCOCC2)cc1.
What is the InChIKey of N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide?
The InChIKey is XBQYUBXZGAHMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4/c1-17-23(29)27(21-6-4-3-5-20(21)26-17)15-22(28)25-16-24(11-13-31-14-12-24)18-7-9-19(30-2)10-8-18/h3-10H,11-16H2,1-2H3,(H,25,28).
What are the key properties of N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide?
N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide has a molecular weight of 421.50 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide is sourced from PubChem (CID 71709825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).