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

C25H32N4O5 — CID 51352698

IUPAC3-[[4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]cyclohexyl]methyl]-6-methoxy-1H-quinazoline-2,4-dione
SMILESCOc1ccc2[nH]c(=O)n(CC3CCC(C(=O)N4CCN(C(=O)C5CC5)CC4)CC3)c(=O)c2c1
InChIInChI=1S/C25H32N4O5/c1-34-19-8-9-21-20(14-19)24(32)29(25(33)26-21)15-16-2-4-17(5-3-16)22(30)27-10-12-28(13-11-27)23(31)18-6-7-18/h8-9,14,16-18H,2-7,10-13,15H2,1H3,(H,26,33)
InChIKeyUSHVXQLTFMYLMF-UHFFFAOYSA-N
MW468.55 g/mol
LogP1.59
Rot. Bonds5

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

3-[[4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]cyclohexyl]methyl]-6-methoxy-1H-quinazoline-2,4-dione (PubChem CID 51352698) has the molecular formula C25H32N4O5 and a molecular weight of 468.55 g/mol. Its IUPAC name is 3-[[4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]cyclohexyl]methyl]-6-methoxy-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-[[4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]cyclohexyl]methyl]-6-methoxy-1H-quinazoline-2,4-dione
PubChem CID51352698
Molecular FormulaC25H32N4O5
Molecular Weight468.55 g/mol
Exact Mass468.24
IUPAC Name3-[[4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]cyclohexyl]methyl]-6-methoxy-1H-quinazoline-2,4-dione
SMILESCOc1ccc2[nH]c(=O)n(CC3CCC(C(=O)N4CCN(C(=O)C5CC5)CC4)CC3)c(=O)c2c1
InChIInChI=1S/C25H32N4O5/c1-34-19-8-9-21-20(14-19)24(32)29(25(33)26-21)15-16-2-4-17(5-3-16)22(30)27-10-12-28(13-11-27)23(31)18-6-7-18/h8-9,14,16-18H,2-7,10-13,15H2,1H3,(H,26,33)
InChIKeyUSHVXQLTFMYLMF-UHFFFAOYSA-N
XLogP1.59
TPSA104.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.55
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]cyclohexyl]methyl]-6-methoxy-1H-quinazoline-2,4-dione?
The IUPAC name of 3-[[4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]cyclohexyl]methyl]-6-methoxy-1H-quinazoline-2,4-dione (CID 51352698) is 3-[[4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]cyclohexyl]methyl]-6-methoxy-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-[[4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]cyclohexyl]methyl]-6-methoxy-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-[[4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]cyclohexyl]methyl]-6-methoxy-1H-quinazoline-2,4-dione is COc1ccc2[nH]c(=O)n(CC3CCC(C(=O)N4CCN(C(=O)C5CC5)CC4)CC3)c(=O)c2c1.
What is the InChIKey of 3-[[4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]cyclohexyl]methyl]-6-methoxy-1H-quinazoline-2,4-dione?
The InChIKey is USHVXQLTFMYLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O5/c1-34-19-8-9-21-20(14-19)24(32)29(25(33)26-21)15-16-2-4-17(5-3-16)22(30)27-10-12-28(13-11-27)23(31)18-6-7-18/h8-9,14,16-18H,2-7,10-13,15H2,1H3,(H,26,33).
What are the key properties of 3-[[4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]cyclohexyl]methyl]-6-methoxy-1H-quinazoline-2,4-dione?
3-[[4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]cyclohexyl]methyl]-6-methoxy-1H-quinazoline-2,4-dione has a molecular weight of 468.55 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]cyclohexyl]methyl]-6-methoxy-1H-quinazoline-2,4-dione is sourced from PubChem (CID 51352698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).