2-amino-6-[5-(2,4-dimethyl-1,2,4-oxadiazolidin-3-yl)-6-methoxy-3-pyridinyl]-3-phenylquinazolin-4-one

C24H24N6O3 — CID 123312166

IUPAC2-amino-6-[5-(2,4-dimethyl-1,2,4-oxadiazolidin-3-yl)-6-methoxy-3-pyridinyl]-3-phenylquinazolin-4-one
SMILESCOc1ncc(-c2ccc3nc(N)n(-c4ccccc4)c(=O)c3c2)cc1C1N(C)CON1C
InChIInChI=1S/C24H24N6O3/c1-28-14-33-29(2)22(28)19-12-16(13-26-21(19)32-3)15-9-10-20-18(11-15)23(31)30(24(25)27-20)17-7-5-4-6-8-17/h4-13,22H,14H2,1-3H3,(H2,25,27)
InChIKeyWAQYKYGSSBIZBH-UHFFFAOYSA-N
MW444.50 g/mol
LogP2.80
Rot. Bonds4

About 2-amino-6-[5-(2,4-dimethyl-1,2,4-oxadiazolidin-3-yl)-6-methoxy-3-pyridinyl]-3-phenylquinazolin-4-one

2-amino-6-[5-(2,4-dimethyl-1,2,4-oxadiazolidin-3-yl)-6-methoxy-3-pyridinyl]-3-phenylquinazolin-4-one (PubChem CID 123312166) has the molecular formula C24H24N6O3 and a molecular weight of 444.50 g/mol. Its IUPAC name is 2-amino-6-[5-(2,4-dimethyl-1,2,4-oxadiazolidin-3-yl)-6-methoxy-3-pyridinyl]-3-phenylquinazolin-4-one.

Molecular Properties

Compound Name2-amino-6-[5-(2,4-dimethyl-1,2,4-oxadiazolidin-3-yl)-6-methoxy-3-pyridinyl]-3-phenylquinazolin-4-one
PubChem CID123312166
Molecular FormulaC24H24N6O3
Molecular Weight444.50 g/mol
Exact Mass444.19
IUPAC Name2-amino-6-[5-(2,4-dimethyl-1,2,4-oxadiazolidin-3-yl)-6-methoxy-3-pyridinyl]-3-phenylquinazolin-4-one
SMILESCOc1ncc(-c2ccc3nc(N)n(-c4ccccc4)c(=O)c3c2)cc1C1N(C)CON1C
InChIInChI=1S/C24H24N6O3/c1-28-14-33-29(2)22(28)19-12-16(13-26-21(19)32-3)15-9-10-20-18(11-15)23(31)30(24(25)27-20)17-7-5-4-6-8-17/h4-13,22H,14H2,1-3H3,(H2,25,27)
InChIKeyWAQYKYGSSBIZBH-UHFFFAOYSA-N
XLogP2.80
TPSA98.74 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.50
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-amino-6-[5-(2,4-dimethyl-1,2,4-oxadiazolidin-3-yl)-6-methoxy-3-pyridinyl]-3-phenylquinazolin-4-one with MolForge

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Related Compounds

2-amino-6-(5,6-dimethoxy-3-pyridinyl)-3-phenylquinazolin-4-one
CID 67982499
2-amino-6-[6-methoxy-5-(1,3-thiazol-2-yl)-3-pyridinyl]-3-phenylquinazolin-4-one
CID 67982263
N-[5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-2-methoxy-3-pyridinyl]thiophene-2-sulfonamide
CID 57405317
2-amino-6-[5-[(2,4-difluorophenyl)sulfinylmethylideneamino]-6-methoxy-3-pyridinyl]-3-phenylquinazolin-4-one
CID 123879083
2-amino-6-[6-methoxy-5-[3-(2-trimethylsilylethoxymethyl)triazol-4-yl]-3-pyridinyl]-3-phenylquinazolin-4-one
CID 67982585
5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-N-benzyl-2-methoxy-N-methylpyridine-3-sulfonamide;formic acid
CID 67981438
N-[5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-2-methoxy-3-pyridinyl]-3-cyanobenzenesulfonamide
CID 57405148
2-amino-6-(6-morpholin-4-yl-3-pyridinyl)-3-phenylquinazolin-4-one
CID 123765235
5-[2-amino-3-(4-morpholin-4-ylphenyl)-4-oxoquinazolin-6-yl]-N-(2-fluorophenyl)-2-methoxypyridine-3-sulfonamide
CID 67985545
2-amino-6-(5-amino-6-methoxy-3-pyridinyl)-3-cyclohexylquinazolin-4-one
CID 123245063
5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-N-(1-imino-3-methyliminopropan-2-yl)-2-methoxypyridine-3-sulfonamide
CID 123757985
5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)pyridine-3-carbonitrile
CID 67982930

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[5-(2,4-dimethyl-1,2,4-oxadiazolidin-3-yl)-6-methoxy-3-pyridinyl]-3-phenylquinazolin-4-one?
The IUPAC name of 2-amino-6-[5-(2,4-dimethyl-1,2,4-oxadiazolidin-3-yl)-6-methoxy-3-pyridinyl]-3-phenylquinazolin-4-one (CID 123312166) is 2-amino-6-[5-(2,4-dimethyl-1,2,4-oxadiazolidin-3-yl)-6-methoxy-3-pyridinyl]-3-phenylquinazolin-4-one.
What is the SMILES notation for 2-amino-6-[5-(2,4-dimethyl-1,2,4-oxadiazolidin-3-yl)-6-methoxy-3-pyridinyl]-3-phenylquinazolin-4-one?
The canonical SMILES for 2-amino-6-[5-(2,4-dimethyl-1,2,4-oxadiazolidin-3-yl)-6-methoxy-3-pyridinyl]-3-phenylquinazolin-4-one is COc1ncc(-c2ccc3nc(N)n(-c4ccccc4)c(=O)c3c2)cc1C1N(C)CON1C.
What is the InChIKey of 2-amino-6-[5-(2,4-dimethyl-1,2,4-oxadiazolidin-3-yl)-6-methoxy-3-pyridinyl]-3-phenylquinazolin-4-one?
The InChIKey is WAQYKYGSSBIZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O3/c1-28-14-33-29(2)22(28)19-12-16(13-26-21(19)32-3)15-9-10-20-18(11-15)23(31)30(24(25)27-20)17-7-5-4-6-8-17/h4-13,22H,14H2,1-3H3,(H2,25,27).
What are the key properties of 2-amino-6-[5-(2,4-dimethyl-1,2,4-oxadiazolidin-3-yl)-6-methoxy-3-pyridinyl]-3-phenylquinazolin-4-one?
2-amino-6-[5-(2,4-dimethyl-1,2,4-oxadiazolidin-3-yl)-6-methoxy-3-pyridinyl]-3-phenylquinazolin-4-one has a molecular weight of 444.50 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[5-(2,4-dimethyl-1,2,4-oxadiazolidin-3-yl)-6-methoxy-3-pyridinyl]-3-phenylquinazolin-4-one is sourced from PubChem (CID 123312166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).