3-[[4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]methyl]quinazolin-4-one

C26H30N4O2 — CID 4908558

IUPAC3-[[4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]methyl]quinazolin-4-one
SMILESO=C(C1CCC(Cn2cnc3ccccc3c2=O)CC1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C26H30N4O2/c31-25(29-16-14-28(15-17-29)22-6-2-1-3-7-22)21-12-10-20(11-13-21)18-30-19-27-24-9-5-4-8-23(24)26(30)32/h1-9,19-21H,10-18H2
InChIKeyICFKFQAZQLROIU-UHFFFAOYSA-N
MW430.55 g/mol
LogP3.55
Rot. Bonds4

About 3-[[4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]methyl]quinazolin-4-one

3-[[4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]methyl]quinazolin-4-one (PubChem CID 4908558) has the molecular formula C26H30N4O2 and a molecular weight of 430.55 g/mol. Its IUPAC name is 3-[[4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]methyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[[4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]methyl]quinazolin-4-one
PubChem CID4908558
Molecular FormulaC26H30N4O2
Molecular Weight430.55 g/mol
Exact Mass430.24
IUPAC Name3-[[4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]methyl]quinazolin-4-one
SMILESO=C(C1CCC(Cn2cnc3ccccc3c2=O)CC1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C26H30N4O2/c31-25(29-16-14-28(15-17-29)22-6-2-1-3-7-22)21-12-10-20(11-13-21)18-30-19-27-24-9-5-4-8-23(24)26(30)32/h1-9,19-21H,10-18H2
InChIKeyICFKFQAZQLROIU-UHFFFAOYSA-N
XLogP3.55
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]methyl]quinazolin-4-one?
The IUPAC name of 3-[[4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]methyl]quinazolin-4-one (CID 4908558) is 3-[[4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]methyl]quinazolin-4-one.
What is the SMILES notation for 3-[[4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]methyl]quinazolin-4-one?
The canonical SMILES for 3-[[4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]methyl]quinazolin-4-one is O=C(C1CCC(Cn2cnc3ccccc3c2=O)CC1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 3-[[4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]methyl]quinazolin-4-one?
The InChIKey is ICFKFQAZQLROIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O2/c31-25(29-16-14-28(15-17-29)22-6-2-1-3-7-22)21-12-10-20(11-13-21)18-30-19-27-24-9-5-4-8-23(24)26(30)32/h1-9,19-21H,10-18H2.
What are the key properties of 3-[[4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]methyl]quinazolin-4-one?
3-[[4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]methyl]quinazolin-4-one has a molecular weight of 430.55 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]methyl]quinazolin-4-one is sourced from PubChem (CID 4908558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).