1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[[(2S)-oxolan-2-yl]methyl]quinazoline-2,4-dione

C24H24N4O6 — CID 30850020

IUPAC1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[[(2S)-oxolan-2-yl]methyl]quinazoline-2,4-dione
SMILESCOc1ccc(-c2noc(Cn3c(=O)n(C[C@@H]4CCCO4)c(=O)c4ccccc43)n2)cc1OC
InChIInChI=1S/C24H24N4O6/c1-31-19-10-9-15(12-20(19)32-2)22-25-21(34-26-22)14-27-18-8-4-3-7-17(18)23(29)28(24(27)30)13-16-6-5-11-33-16/h3-4,7-10,12,16H,5-6,11,13-14H2,1-2H3/t16-/m0/s1
InChIKeyVLZVTDWTPZRFSI-INIZCTEOSA-N
MW464.48 g/mol
LogP2.46
Rot. Bonds7

About 1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[[(2S)-oxolan-2-yl]methyl]quinazoline-2,4-dione

1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[[(2S)-oxolan-2-yl]methyl]quinazoline-2,4-dione (PubChem CID 30850020) has the molecular formula C24H24N4O6 and a molecular weight of 464.48 g/mol. Its IUPAC name is 1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[[(2S)-oxolan-2-yl]methyl]quinazoline-2,4-dione.

Molecular Properties

Compound Name1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[[(2S)-oxolan-2-yl]methyl]quinazoline-2,4-dione
PubChem CID30850020
Molecular FormulaC24H24N4O6
Molecular Weight464.48 g/mol
Exact Mass464.17
IUPAC Name1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[[(2S)-oxolan-2-yl]methyl]quinazoline-2,4-dione
SMILESCOc1ccc(-c2noc(Cn3c(=O)n(C[C@@H]4CCCO4)c(=O)c4ccccc43)n2)cc1OC
InChIInChI=1S/C24H24N4O6/c1-31-19-10-9-15(12-20(19)32-2)22-25-21(34-26-22)14-27-18-8-4-3-7-17(18)23(29)28(24(27)30)13-16-6-5-11-33-16/h3-4,7-10,12,16H,5-6,11,13-14H2,1-2H3/t16-/m0/s1
InChIKeyVLZVTDWTPZRFSI-INIZCTEOSA-N
XLogP2.46
TPSA110.61 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.48
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

3-[[(2R)-oxolan-2-yl]methyl]-1-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]quinazoline-2,4-dione
CID 30850007
3-cyclopropyl-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]quinazoline-2,4-dione
CID 131703502
3-(3,5-dimethylphenyl)-1-[[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]quinazoline-2,4-dione
CID 45499997
2-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-3-(oxolan-2-ylmethyl)quinazolin-4-one
CID 654707
1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(3-methoxypropyl)quinazoline-2,4-dione
CID 53100966
2-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]isoindole-1,3-dione
CID 17423413
3-propyl-1-[[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]quinazoline-2,4-dione
CID 131702454
3-(3,4-dimethoxyphenyl)-5-(piperidin-1-ylmethyl)-1,2,4-oxadiazole
CID 2980841
2-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methyl-1,2,4-triazol-3-one
CID 126769322
1-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(2-phenylethyl)quinazoline-2,4-dione
CID 30850214
3-(4-ethylphenyl)-1-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]quinazoline-2,4-dione
CID 53100937
1-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(2-methylpropyl)quinazoline-2,4-dione
CID 30850052

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[[(2S)-oxolan-2-yl]methyl]quinazoline-2,4-dione?
The IUPAC name of 1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[[(2S)-oxolan-2-yl]methyl]quinazoline-2,4-dione (CID 30850020) is 1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[[(2S)-oxolan-2-yl]methyl]quinazoline-2,4-dione.
What is the SMILES notation for 1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[[(2S)-oxolan-2-yl]methyl]quinazoline-2,4-dione?
The canonical SMILES for 1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[[(2S)-oxolan-2-yl]methyl]quinazoline-2,4-dione is COc1ccc(-c2noc(Cn3c(=O)n(C[C@@H]4CCCO4)c(=O)c4ccccc43)n2)cc1OC.
What is the InChIKey of 1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[[(2S)-oxolan-2-yl]methyl]quinazoline-2,4-dione?
The InChIKey is VLZVTDWTPZRFSI-INIZCTEOSA-N. The full InChI is InChI=1S/C24H24N4O6/c1-31-19-10-9-15(12-20(19)32-2)22-25-21(34-26-22)14-27-18-8-4-3-7-17(18)23(29)28(24(27)30)13-16-6-5-11-33-16/h3-4,7-10,12,16H,5-6,11,13-14H2,1-2H3/t16-/m0/s1.
What are the key properties of 1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[[(2S)-oxolan-2-yl]methyl]quinazoline-2,4-dione?
1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[[(2S)-oxolan-2-yl]methyl]quinazoline-2,4-dione has a molecular weight of 464.48 g/mol, XLogP of 2.46, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[[(2S)-oxolan-2-yl]methyl]quinazoline-2,4-dione is sourced from PubChem (CID 30850020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).