6-methoxy-3-[[4-[4-(2-methylpropanoyl)piperazine-1-carbonyl]cyclohexyl]methyl]-1H-quinazoline-2,4-dione

C25H34N4O5 — CID 51039151

IUPAC6-methoxy-3-[[4-[4-(2-methylpropanoyl)piperazine-1-carbonyl]cyclohexyl]methyl]-1H-quinazoline-2,4-dione
SMILESCOc1ccc2[nH]c(=O)n(CC3CCC(C(=O)N4CCN(C(=O)C(C)C)CC4)CC3)c(=O)c2c1
InChIInChI=1S/C25H34N4O5/c1-16(2)22(30)27-10-12-28(13-11-27)23(31)18-6-4-17(5-7-18)15-29-24(32)20-14-19(34-3)8-9-21(20)26-25(29)33/h8-9,14,16-18H,4-7,10-13,15H2,1-3H3,(H,26,33)
InChIKeyBOKVEJHMZHXYLC-UHFFFAOYSA-N
MW470.57 g/mol
LogP1.83
Rot. Bonds5

About 6-methoxy-3-[[4-[4-(2-methylpropanoyl)piperazine-1-carbonyl]cyclohexyl]methyl]-1H-quinazoline-2,4-dione

6-methoxy-3-[[4-[4-(2-methylpropanoyl)piperazine-1-carbonyl]cyclohexyl]methyl]-1H-quinazoline-2,4-dione (PubChem CID 51039151) has the molecular formula C25H34N4O5 and a molecular weight of 470.57 g/mol. Its IUPAC name is 6-methoxy-3-[[4-[4-(2-methylpropanoyl)piperazine-1-carbonyl]cyclohexyl]methyl]-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name6-methoxy-3-[[4-[4-(2-methylpropanoyl)piperazine-1-carbonyl]cyclohexyl]methyl]-1H-quinazoline-2,4-dione
PubChem CID51039151
Molecular FormulaC25H34N4O5
Molecular Weight470.57 g/mol
Exact Mass470.25
IUPAC Name6-methoxy-3-[[4-[4-(2-methylpropanoyl)piperazine-1-carbonyl]cyclohexyl]methyl]-1H-quinazoline-2,4-dione
SMILESCOc1ccc2[nH]c(=O)n(CC3CCC(C(=O)N4CCN(C(=O)C(C)C)CC4)CC3)c(=O)c2c1
InChIInChI=1S/C25H34N4O5/c1-16(2)22(30)27-10-12-28(13-11-27)23(31)18-6-4-17(5-7-18)15-29-24(32)20-14-19(34-3)8-9-21(20)26-25(29)33/h8-9,14,16-18H,4-7,10-13,15H2,1-3H3,(H,26,33)
InChIKeyBOKVEJHMZHXYLC-UHFFFAOYSA-N
XLogP1.83
TPSA104.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-[[4-[4-(2-methylpropanoyl)piperazine-1-carbonyl]cyclohexyl]methyl]-1H-quinazoline-2,4-dione?
The IUPAC name of 6-methoxy-3-[[4-[4-(2-methylpropanoyl)piperazine-1-carbonyl]cyclohexyl]methyl]-1H-quinazoline-2,4-dione (CID 51039151) is 6-methoxy-3-[[4-[4-(2-methylpropanoyl)piperazine-1-carbonyl]cyclohexyl]methyl]-1H-quinazoline-2,4-dione.
What is the SMILES notation for 6-methoxy-3-[[4-[4-(2-methylpropanoyl)piperazine-1-carbonyl]cyclohexyl]methyl]-1H-quinazoline-2,4-dione?
The canonical SMILES for 6-methoxy-3-[[4-[4-(2-methylpropanoyl)piperazine-1-carbonyl]cyclohexyl]methyl]-1H-quinazoline-2,4-dione is COc1ccc2[nH]c(=O)n(CC3CCC(C(=O)N4CCN(C(=O)C(C)C)CC4)CC3)c(=O)c2c1.
What is the InChIKey of 6-methoxy-3-[[4-[4-(2-methylpropanoyl)piperazine-1-carbonyl]cyclohexyl]methyl]-1H-quinazoline-2,4-dione?
The InChIKey is BOKVEJHMZHXYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O5/c1-16(2)22(30)27-10-12-28(13-11-27)23(31)18-6-4-17(5-7-18)15-29-24(32)20-14-19(34-3)8-9-21(20)26-25(29)33/h8-9,14,16-18H,4-7,10-13,15H2,1-3H3,(H,26,33).
What are the key properties of 6-methoxy-3-[[4-[4-(2-methylpropanoyl)piperazine-1-carbonyl]cyclohexyl]methyl]-1H-quinazoline-2,4-dione?
6-methoxy-3-[[4-[4-(2-methylpropanoyl)piperazine-1-carbonyl]cyclohexyl]methyl]-1H-quinazoline-2,4-dione has a molecular weight of 470.57 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-[[4-[4-(2-methylpropanoyl)piperazine-1-carbonyl]cyclohexyl]methyl]-1H-quinazoline-2,4-dione is sourced from PubChem (CID 51039151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).