6-methoxy-3-[[4-[4-(2-methoxyacetyl)piperazine-1-carbonyl]cyclohexyl]methyl]-1-methylquinazoline-2,4-dione

C25H34N4O6 — CID 51352877

IUPAC6-methoxy-3-[[4-[4-(2-methoxyacetyl)piperazine-1-carbonyl]cyclohexyl]methyl]-1-methylquinazoline-2,4-dione
SMILESCOCC(=O)N1CCN(C(=O)C2CCC(Cn3c(=O)c4cc(OC)ccc4n(C)c3=O)CC2)CC1
InChIInChI=1S/C25H34N4O6/c1-26-21-9-8-19(35-3)14-20(21)24(32)29(25(26)33)15-17-4-6-18(7-5-17)23(31)28-12-10-27(11-13-28)22(30)16-34-2/h8-9,14,17-18H,4-7,10-13,15-16H2,1-3H3
InChIKeyCYIHQUXKBWFESS-UHFFFAOYSA-N
MW486.57 g/mol
LogP0.83
Rot. Bonds6

About 6-methoxy-3-[[4-[4-(2-methoxyacetyl)piperazine-1-carbonyl]cyclohexyl]methyl]-1-methylquinazoline-2,4-dione

6-methoxy-3-[[4-[4-(2-methoxyacetyl)piperazine-1-carbonyl]cyclohexyl]methyl]-1-methylquinazoline-2,4-dione (PubChem CID 51352877) has the molecular formula C25H34N4O6 and a molecular weight of 486.57 g/mol. Its IUPAC name is 6-methoxy-3-[[4-[4-(2-methoxyacetyl)piperazine-1-carbonyl]cyclohexyl]methyl]-1-methylquinazoline-2,4-dione.

Molecular Properties

Compound Name6-methoxy-3-[[4-[4-(2-methoxyacetyl)piperazine-1-carbonyl]cyclohexyl]methyl]-1-methylquinazoline-2,4-dione
PubChem CID51352877
Molecular FormulaC25H34N4O6
Molecular Weight486.57 g/mol
Exact Mass486.25
IUPAC Name6-methoxy-3-[[4-[4-(2-methoxyacetyl)piperazine-1-carbonyl]cyclohexyl]methyl]-1-methylquinazoline-2,4-dione
SMILESCOCC(=O)N1CCN(C(=O)C2CCC(Cn3c(=O)c4cc(OC)ccc4n(C)c3=O)CC2)CC1
InChIInChI=1S/C25H34N4O6/c1-26-21-9-8-19(35-3)14-20(21)24(32)29(25(26)33)15-17-4-6-18(7-5-17)23(31)28-12-10-27(11-13-28)22(30)16-34-2/h8-9,14,17-18H,4-7,10-13,15-16H2,1-3H3
InChIKeyCYIHQUXKBWFESS-UHFFFAOYSA-N
XLogP0.83
TPSA103.08 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.57
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-[[4-[4-(2-methoxyacetyl)piperazine-1-carbonyl]cyclohexyl]methyl]-1-methylquinazoline-2,4-dione?
The IUPAC name of 6-methoxy-3-[[4-[4-(2-methoxyacetyl)piperazine-1-carbonyl]cyclohexyl]methyl]-1-methylquinazoline-2,4-dione (CID 51352877) is 6-methoxy-3-[[4-[4-(2-methoxyacetyl)piperazine-1-carbonyl]cyclohexyl]methyl]-1-methylquinazoline-2,4-dione.
What is the SMILES notation for 6-methoxy-3-[[4-[4-(2-methoxyacetyl)piperazine-1-carbonyl]cyclohexyl]methyl]-1-methylquinazoline-2,4-dione?
The canonical SMILES for 6-methoxy-3-[[4-[4-(2-methoxyacetyl)piperazine-1-carbonyl]cyclohexyl]methyl]-1-methylquinazoline-2,4-dione is COCC(=O)N1CCN(C(=O)C2CCC(Cn3c(=O)c4cc(OC)ccc4n(C)c3=O)CC2)CC1.
What is the InChIKey of 6-methoxy-3-[[4-[4-(2-methoxyacetyl)piperazine-1-carbonyl]cyclohexyl]methyl]-1-methylquinazoline-2,4-dione?
The InChIKey is CYIHQUXKBWFESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O6/c1-26-21-9-8-19(35-3)14-20(21)24(32)29(25(26)33)15-17-4-6-18(7-5-17)23(31)28-12-10-27(11-13-28)22(30)16-34-2/h8-9,14,17-18H,4-7,10-13,15-16H2,1-3H3.
What are the key properties of 6-methoxy-3-[[4-[4-(2-methoxyacetyl)piperazine-1-carbonyl]cyclohexyl]methyl]-1-methylquinazoline-2,4-dione?
6-methoxy-3-[[4-[4-(2-methoxyacetyl)piperazine-1-carbonyl]cyclohexyl]methyl]-1-methylquinazoline-2,4-dione has a molecular weight of 486.57 g/mol, XLogP of 0.83, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-[[4-[4-(2-methoxyacetyl)piperazine-1-carbonyl]cyclohexyl]methyl]-1-methylquinazoline-2,4-dione is sourced from PubChem (CID 51352877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).