8-acetyl-3,6-dimethyl-2-(1-methylcyclopentyl)quinazolin-4-one

C18H22N2O2 — CID 169154754

IUPAC8-acetyl-3,6-dimethyl-2-(1-methylcyclopentyl)quinazolin-4-one
SMILESCC(=O)c1cc(C)cc2c(=O)n(C)c(C3(C)CCCC3)nc12
InChIInChI=1S/C18H22N2O2/c1-11-9-13(12(2)21)15-14(10-11)16(22)20(4)17(19-15)18(3)7-5-6-8-18/h9-10H,5-8H2,1-4H3
InChIKeyPPQDRSIDTOEMBW-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.28
Rot. Bonds2

About 8-acetyl-3,6-dimethyl-2-(1-methylcyclopentyl)quinazolin-4-one

8-acetyl-3,6-dimethyl-2-(1-methylcyclopentyl)quinazolin-4-one (PubChem CID 169154754) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 8-acetyl-3,6-dimethyl-2-(1-methylcyclopentyl)quinazolin-4-one.

Molecular Properties

Compound Name8-acetyl-3,6-dimethyl-2-(1-methylcyclopentyl)quinazolin-4-one
PubChem CID169154754
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name8-acetyl-3,6-dimethyl-2-(1-methylcyclopentyl)quinazolin-4-one
SMILESCC(=O)c1cc(C)cc2c(=O)n(C)c(C3(C)CCCC3)nc12
InChIInChI=1S/C18H22N2O2/c1-11-9-13(12(2)21)15-14(10-11)16(22)20(4)17(19-15)18(3)7-5-6-8-18/h9-10H,5-8H2,1-4H3
InChIKeyPPQDRSIDTOEMBW-UHFFFAOYSA-N
XLogP3.28
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-acetyl-3,6-dimethyl-2-(1-methylcyclopentyl)quinazolin-4-one?
The IUPAC name of 8-acetyl-3,6-dimethyl-2-(1-methylcyclopentyl)quinazolin-4-one (CID 169154754) is 8-acetyl-3,6-dimethyl-2-(1-methylcyclopentyl)quinazolin-4-one.
What is the SMILES notation for 8-acetyl-3,6-dimethyl-2-(1-methylcyclopentyl)quinazolin-4-one?
The canonical SMILES for 8-acetyl-3,6-dimethyl-2-(1-methylcyclopentyl)quinazolin-4-one is CC(=O)c1cc(C)cc2c(=O)n(C)c(C3(C)CCCC3)nc12.
What is the InChIKey of 8-acetyl-3,6-dimethyl-2-(1-methylcyclopentyl)quinazolin-4-one?
The InChIKey is PPQDRSIDTOEMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-11-9-13(12(2)21)15-14(10-11)16(22)20(4)17(19-15)18(3)7-5-6-8-18/h9-10H,5-8H2,1-4H3.
What are the key properties of 8-acetyl-3,6-dimethyl-2-(1-methylcyclopentyl)quinazolin-4-one?
8-acetyl-3,6-dimethyl-2-(1-methylcyclopentyl)quinazolin-4-one has a molecular weight of 298.39 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-acetyl-3,6-dimethyl-2-(1-methylcyclopentyl)quinazolin-4-one is sourced from PubChem (CID 169154754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).