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

C24H22N4O5 — CID 10195069

IUPAC4-[(2-methylquinolin-4-yl)methoxy]-N-[(5-methyl-2,4,6-trioxo-1,3-diazinan-5-yl)methyl]benzamide
SMILESCc1cc(COc2ccc(C(=O)NCC3(C)C(=O)NC(=O)NC3=O)cc2)c2ccccc2n1
InChIInChI=1S/C24H22N4O5/c1-14-11-16(18-5-3-4-6-19(18)26-14)12-33-17-9-7-15(8-10-17)20(29)25-13-24(2)21(30)27-23(32)28-22(24)31/h3-11H,12-13H2,1-2H3,(H,25,29)(H2,27,28,30,31,32)
InChIKeyRYFSQVRNVFCETF-UHFFFAOYSA-N
MW446.46 g/mol
LogP2.22
Rot. Bonds6

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

4-[(2-methylquinolin-4-yl)methoxy]-N-[(5-methyl-2,4,6-trioxo-1,3-diazinan-5-yl)methyl]benzamide (PubChem CID 10195069) has the molecular formula C24H22N4O5 and a molecular weight of 446.46 g/mol. Its IUPAC name is 4-[(2-methylquinolin-4-yl)methoxy]-N-[(5-methyl-2,4,6-trioxo-1,3-diazinan-5-yl)methyl]benzamide.

Molecular Properties

Compound Name4-[(2-methylquinolin-4-yl)methoxy]-N-[(5-methyl-2,4,6-trioxo-1,3-diazinan-5-yl)methyl]benzamide
PubChem CID10195069
Molecular FormulaC24H22N4O5
Molecular Weight446.46 g/mol
Exact Mass446.16
IUPAC Name4-[(2-methylquinolin-4-yl)methoxy]-N-[(5-methyl-2,4,6-trioxo-1,3-diazinan-5-yl)methyl]benzamide
SMILESCc1cc(COc2ccc(C(=O)NCC3(C)C(=O)NC(=O)NC3=O)cc2)c2ccccc2n1
InChIInChI=1S/C24H22N4O5/c1-14-11-16(18-5-3-4-6-19(18)26-14)12-33-17-9-7-15(8-10-17)20(29)25-13-24(2)21(30)27-23(32)28-22(24)31/h3-11H,12-13H2,1-2H3,(H,25,29)(H2,27,28,30,31,32)
InChIKeyRYFSQVRNVFCETF-UHFFFAOYSA-N
XLogP2.22
TPSA126.49 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.46
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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 4-[(2-methylquinolin-4-yl)methoxy]-N-[(5-methyl-2,4,6-trioxo-1,3-diazinan-5-yl)methyl]benzamide?
The IUPAC name of 4-[(2-methylquinolin-4-yl)methoxy]-N-[(5-methyl-2,4,6-trioxo-1,3-diazinan-5-yl)methyl]benzamide (CID 10195069) is 4-[(2-methylquinolin-4-yl)methoxy]-N-[(5-methyl-2,4,6-trioxo-1,3-diazinan-5-yl)methyl]benzamide.
What is the SMILES notation for 4-[(2-methylquinolin-4-yl)methoxy]-N-[(5-methyl-2,4,6-trioxo-1,3-diazinan-5-yl)methyl]benzamide?
The canonical SMILES for 4-[(2-methylquinolin-4-yl)methoxy]-N-[(5-methyl-2,4,6-trioxo-1,3-diazinan-5-yl)methyl]benzamide is Cc1cc(COc2ccc(C(=O)NCC3(C)C(=O)NC(=O)NC3=O)cc2)c2ccccc2n1.
What is the InChIKey of 4-[(2-methylquinolin-4-yl)methoxy]-N-[(5-methyl-2,4,6-trioxo-1,3-diazinan-5-yl)methyl]benzamide?
The InChIKey is RYFSQVRNVFCETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O5/c1-14-11-16(18-5-3-4-6-19(18)26-14)12-33-17-9-7-15(8-10-17)20(29)25-13-24(2)21(30)27-23(32)28-22(24)31/h3-11H,12-13H2,1-2H3,(H,25,29)(H2,27,28,30,31,32).
What are the key properties of 4-[(2-methylquinolin-4-yl)methoxy]-N-[(5-methyl-2,4,6-trioxo-1,3-diazinan-5-yl)methyl]benzamide?
4-[(2-methylquinolin-4-yl)methoxy]-N-[(5-methyl-2,4,6-trioxo-1,3-diazinan-5-yl)methyl]benzamide has a molecular weight of 446.46 g/mol, XLogP of 2.22, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylquinolin-4-yl)methoxy]-N-[(5-methyl-2,4,6-trioxo-1,3-diazinan-5-yl)methyl]benzamide is sourced from PubChem (CID 10195069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).