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

C23H30N4O5 — CID 51352879

IUPAC3-[[4-(4-acetylpiperazine-1-carbonyl)cyclohexyl]methyl]-6-methoxy-1H-quinazoline-2,4-dione
SMILESCOc1ccc2[nH]c(=O)n(CC3CCC(C(=O)N4CCN(C(C)=O)CC4)CC3)c(=O)c2c1
InChIInChI=1S/C23H30N4O5/c1-15(28)25-9-11-26(12-10-25)21(29)17-5-3-16(4-6-17)14-27-22(30)19-13-18(32-2)7-8-20(19)24-23(27)31/h7-8,13,16-17H,3-6,9-12,14H2,1-2H3,(H,24,31)
InChIKeyDZXOSNMYFWHYIR-UHFFFAOYSA-N
MW442.52 g/mol
LogP1.20
Rot. Bonds4

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

3-[[4-(4-acetylpiperazine-1-carbonyl)cyclohexyl]methyl]-6-methoxy-1H-quinazoline-2,4-dione (PubChem CID 51352879) has the molecular formula C23H30N4O5 and a molecular weight of 442.52 g/mol. Its IUPAC name is 3-[[4-(4-acetylpiperazine-1-carbonyl)cyclohexyl]methyl]-6-methoxy-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-[[4-(4-acetylpiperazine-1-carbonyl)cyclohexyl]methyl]-6-methoxy-1H-quinazoline-2,4-dione
PubChem CID51352879
Molecular FormulaC23H30N4O5
Molecular Weight442.52 g/mol
Exact Mass442.22
IUPAC Name3-[[4-(4-acetylpiperazine-1-carbonyl)cyclohexyl]methyl]-6-methoxy-1H-quinazoline-2,4-dione
SMILESCOc1ccc2[nH]c(=O)n(CC3CCC(C(=O)N4CCN(C(C)=O)CC4)CC3)c(=O)c2c1
InChIInChI=1S/C23H30N4O5/c1-15(28)25-9-11-26(12-10-25)21(29)17-5-3-16(4-6-17)14-27-22(30)19-13-18(32-2)7-8-20(19)24-23(27)31/h7-8,13,16-17H,3-6,9-12,14H2,1-2H3,(H,24,31)
InChIKeyDZXOSNMYFWHYIR-UHFFFAOYSA-N
XLogP1.20
TPSA104.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(4-acetylpiperazine-1-carbonyl)cyclohexyl]methyl]-6-methoxy-1H-quinazoline-2,4-dione?
The IUPAC name of 3-[[4-(4-acetylpiperazine-1-carbonyl)cyclohexyl]methyl]-6-methoxy-1H-quinazoline-2,4-dione (CID 51352879) is 3-[[4-(4-acetylpiperazine-1-carbonyl)cyclohexyl]methyl]-6-methoxy-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-[[4-(4-acetylpiperazine-1-carbonyl)cyclohexyl]methyl]-6-methoxy-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-[[4-(4-acetylpiperazine-1-carbonyl)cyclohexyl]methyl]-6-methoxy-1H-quinazoline-2,4-dione is COc1ccc2[nH]c(=O)n(CC3CCC(C(=O)N4CCN(C(C)=O)CC4)CC3)c(=O)c2c1.
What is the InChIKey of 3-[[4-(4-acetylpiperazine-1-carbonyl)cyclohexyl]methyl]-6-methoxy-1H-quinazoline-2,4-dione?
The InChIKey is DZXOSNMYFWHYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O5/c1-15(28)25-9-11-26(12-10-25)21(29)17-5-3-16(4-6-17)14-27-22(30)19-13-18(32-2)7-8-20(19)24-23(27)31/h7-8,13,16-17H,3-6,9-12,14H2,1-2H3,(H,24,31).
What are the key properties of 3-[[4-(4-acetylpiperazine-1-carbonyl)cyclohexyl]methyl]-6-methoxy-1H-quinazoline-2,4-dione?
3-[[4-(4-acetylpiperazine-1-carbonyl)cyclohexyl]methyl]-6-methoxy-1H-quinazoline-2,4-dione has a molecular weight of 442.52 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(4-acetylpiperazine-1-carbonyl)cyclohexyl]methyl]-6-methoxy-1H-quinazoline-2,4-dione is sourced from PubChem (CID 51352879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).