3-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)benzo[g][1]benzofuran-2-carboxamide

C23H18N2O4 — CID 167953016

IUPAC3-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)benzo[g][1]benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)oc2c1ccc1ccccc12
InChIInChI=1S/C23H18N2O4/c1-13-16-9-7-14-5-3-4-6-17(14)22(16)29-21(13)23(27)24-15-8-10-19-18(11-15)25(2)20(26)12-28-19/h3-11H,12H2,1-2H3,(H,24,27)
InChIKeyYRBLNQNEWFIMFS-UHFFFAOYSA-N
MW386.41 g/mol
LogP4.50
Rot. Bonds2

About 3-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)benzo[g][1]benzofuran-2-carboxamide

3-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)benzo[g][1]benzofuran-2-carboxamide (PubChem CID 167953016) has the molecular formula C23H18N2O4 and a molecular weight of 386.41 g/mol. Its IUPAC name is 3-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)benzo[g][1]benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)benzo[g][1]benzofuran-2-carboxamide
PubChem CID167953016
Molecular FormulaC23H18N2O4
Molecular Weight386.41 g/mol
Exact Mass386.13
IUPAC Name3-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)benzo[g][1]benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)oc2c1ccc1ccccc12
InChIInChI=1S/C23H18N2O4/c1-13-16-9-7-14-5-3-4-6-17(14)22(16)29-21(13)23(27)24-15-8-10-19-18(11-15)25(2)20(26)12-28-19/h3-11H,12H2,1-2H3,(H,24,27)
InChIKeyYRBLNQNEWFIMFS-UHFFFAOYSA-N
XLogP4.50
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)benzo[g][1]benzofuran-2-carboxamide?
The IUPAC name of 3-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)benzo[g][1]benzofuran-2-carboxamide (CID 167953016) is 3-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)benzo[g][1]benzofuran-2-carboxamide.
What is the SMILES notation for 3-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)benzo[g][1]benzofuran-2-carboxamide?
The canonical SMILES for 3-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)benzo[g][1]benzofuran-2-carboxamide is Cc1c(C(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)oc2c1ccc1ccccc12.
What is the InChIKey of 3-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)benzo[g][1]benzofuran-2-carboxamide?
The InChIKey is YRBLNQNEWFIMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O4/c1-13-16-9-7-14-5-3-4-6-17(14)22(16)29-21(13)23(27)24-15-8-10-19-18(11-15)25(2)20(26)12-28-19/h3-11H,12H2,1-2H3,(H,24,27).
What are the key properties of 3-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)benzo[g][1]benzofuran-2-carboxamide?
3-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)benzo[g][1]benzofuran-2-carboxamide has a molecular weight of 386.41 g/mol, XLogP of 4.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)benzo[g][1]benzofuran-2-carboxamide is sourced from PubChem (CID 167953016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).