5-methyl-5-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-1,3-diazinane-2,4,6-trione

C22H19N3O4 — CID 10237492

IUPAC5-methyl-5-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-1,3-diazinane-2,4,6-trione
SMILESCc1cc(COc2ccc(C3(C)C(=O)NC(=O)NC3=O)cc2)c2ccccc2n1
InChIInChI=1S/C22H19N3O4/c1-13-11-14(17-5-3-4-6-18(17)23-13)12-29-16-9-7-15(8-10-16)22(2)19(26)24-21(28)25-20(22)27/h3-11H,12H2,1-2H3,(H2,24,25,26,27,28)
InChIKeyQKXIBRKQCXPSEK-UHFFFAOYSA-N
MW389.41 g/mol
LogP2.75
Rot. Bonds4

About 5-methyl-5-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-1,3-diazinane-2,4,6-trione

5-methyl-5-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-1,3-diazinane-2,4,6-trione (PubChem CID 10237492) has the molecular formula C22H19N3O4 and a molecular weight of 389.41 g/mol. Its IUPAC name is 5-methyl-5-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-methyl-5-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-1,3-diazinane-2,4,6-trione
PubChem CID10237492
Molecular FormulaC22H19N3O4
Molecular Weight389.41 g/mol
Exact Mass389.14
IUPAC Name5-methyl-5-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-1,3-diazinane-2,4,6-trione
SMILESCc1cc(COc2ccc(C3(C)C(=O)NC(=O)NC3=O)cc2)c2ccccc2n1
InChIInChI=1S/C22H19N3O4/c1-13-11-14(17-5-3-4-6-18(17)23-13)12-29-16-9-7-15(8-10-16)22(2)19(26)24-21(28)25-20(22)27/h3-11H,12H2,1-2H3,(H2,24,25,26,27,28)
InChIKeyQKXIBRKQCXPSEK-UHFFFAOYSA-N
XLogP2.75
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 52.75
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 5-methyl-5-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-methyl-5-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-1,3-diazinane-2,4,6-trione (CID 10237492) is 5-methyl-5-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-methyl-5-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-methyl-5-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-1,3-diazinane-2,4,6-trione is Cc1cc(COc2ccc(C3(C)C(=O)NC(=O)NC3=O)cc2)c2ccccc2n1.
What is the InChIKey of 5-methyl-5-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-1,3-diazinane-2,4,6-trione?
The InChIKey is QKXIBRKQCXPSEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O4/c1-13-11-14(17-5-3-4-6-18(17)23-13)12-29-16-9-7-15(8-10-16)22(2)19(26)24-21(28)25-20(22)27/h3-11H,12H2,1-2H3,(H2,24,25,26,27,28).
What are the key properties of 5-methyl-5-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-1,3-diazinane-2,4,6-trione?
5-methyl-5-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-1,3-diazinane-2,4,6-trione has a molecular weight of 389.41 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 10237492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).