N-(2-methylquinolin-4-yl)-N-[(5-methyl-2,4,6-trioxo-1,3-diazinan-5-yl)methyl]benzamide

C23H20N4O4 — CID 91610079

IUPACN-(2-methylquinolin-4-yl)-N-[(5-methyl-2,4,6-trioxo-1,3-diazinan-5-yl)methyl]benzamide
SMILESCc1cc(N(CC2(C)C(=O)NC(=O)NC2=O)C(=O)c2ccccc2)c2ccccc2n1
InChIInChI=1S/C23H20N4O4/c1-14-12-18(16-10-6-7-11-17(16)24-14)27(19(28)15-8-4-3-5-9-15)13-23(2)20(29)25-22(31)26-21(23)30/h3-12H,13H2,1-2H3,(H2,25,26,29,30,31)
InChIKeySQYWGKALRSCKCA-UHFFFAOYSA-N
MW416.44 g/mol
LogP2.56
Rot. Bonds4

About N-(2-methylquinolin-4-yl)-N-[(5-methyl-2,4,6-trioxo-1,3-diazinan-5-yl)methyl]benzamide

N-(2-methylquinolin-4-yl)-N-[(5-methyl-2,4,6-trioxo-1,3-diazinan-5-yl)methyl]benzamide (PubChem CID 91610079) has the molecular formula C23H20N4O4 and a molecular weight of 416.44 g/mol. Its IUPAC name is N-(2-methylquinolin-4-yl)-N-[(5-methyl-2,4,6-trioxo-1,3-diazinan-5-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(2-methylquinolin-4-yl)-N-[(5-methyl-2,4,6-trioxo-1,3-diazinan-5-yl)methyl]benzamide
PubChem CID91610079
Molecular FormulaC23H20N4O4
Molecular Weight416.44 g/mol
Exact Mass416.15
IUPAC NameN-(2-methylquinolin-4-yl)-N-[(5-methyl-2,4,6-trioxo-1,3-diazinan-5-yl)methyl]benzamide
SMILESCc1cc(N(CC2(C)C(=O)NC(=O)NC2=O)C(=O)c2ccccc2)c2ccccc2n1
InChIInChI=1S/C23H20N4O4/c1-14-12-18(16-10-6-7-11-17(16)24-14)27(19(28)15-8-4-3-5-9-15)13-23(2)20(29)25-22(31)26-21(23)30/h3-12H,13H2,1-2H3,(H2,25,26,29,30,31)
InChIKeySQYWGKALRSCKCA-UHFFFAOYSA-N
XLogP2.56
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.44
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylquinolin-4-yl)-N-[(5-methyl-2,4,6-trioxo-1,3-diazinan-5-yl)methyl]benzamide?
The IUPAC name of N-(2-methylquinolin-4-yl)-N-[(5-methyl-2,4,6-trioxo-1,3-diazinan-5-yl)methyl]benzamide (CID 91610079) is N-(2-methylquinolin-4-yl)-N-[(5-methyl-2,4,6-trioxo-1,3-diazinan-5-yl)methyl]benzamide.
What is the SMILES notation for N-(2-methylquinolin-4-yl)-N-[(5-methyl-2,4,6-trioxo-1,3-diazinan-5-yl)methyl]benzamide?
The canonical SMILES for N-(2-methylquinolin-4-yl)-N-[(5-methyl-2,4,6-trioxo-1,3-diazinan-5-yl)methyl]benzamide is Cc1cc(N(CC2(C)C(=O)NC(=O)NC2=O)C(=O)c2ccccc2)c2ccccc2n1.
What is the InChIKey of N-(2-methylquinolin-4-yl)-N-[(5-methyl-2,4,6-trioxo-1,3-diazinan-5-yl)methyl]benzamide?
The InChIKey is SQYWGKALRSCKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O4/c1-14-12-18(16-10-6-7-11-17(16)24-14)27(19(28)15-8-4-3-5-9-15)13-23(2)20(29)25-22(31)26-21(23)30/h3-12H,13H2,1-2H3,(H2,25,26,29,30,31).
What are the key properties of N-(2-methylquinolin-4-yl)-N-[(5-methyl-2,4,6-trioxo-1,3-diazinan-5-yl)methyl]benzamide?
N-(2-methylquinolin-4-yl)-N-[(5-methyl-2,4,6-trioxo-1,3-diazinan-5-yl)methyl]benzamide has a molecular weight of 416.44 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylquinolin-4-yl)-N-[(5-methyl-2,4,6-trioxo-1,3-diazinan-5-yl)methyl]benzamide is sourced from PubChem (CID 91610079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).