3-cyclohexyl-2-(2-methylpropoxy)quinazolin-4-one

C18H24N2O2 — CID 915160

IUPAC3-cyclohexyl-2-(2-methylpropoxy)quinazolin-4-one
SMILESCC(C)COc1nc2ccccc2c(=O)n1C1CCCCC1
InChIInChI=1S/C18H24N2O2/c1-13(2)12-22-18-19-16-11-7-6-10-15(16)17(21)20(18)14-8-4-3-5-9-14/h6-7,10-11,13-14H,3-5,8-9,12H2,1-2H3
InChIKeyMPIYCOQMTUGRQQ-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.94
Rot. Bonds4

About 3-cyclohexyl-2-(2-methylpropoxy)quinazolin-4-one

3-cyclohexyl-2-(2-methylpropoxy)quinazolin-4-one (PubChem CID 915160) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 3-cyclohexyl-2-(2-methylpropoxy)quinazolin-4-one.

Molecular Properties

Compound Name3-cyclohexyl-2-(2-methylpropoxy)quinazolin-4-one
PubChem CID915160
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name3-cyclohexyl-2-(2-methylpropoxy)quinazolin-4-one
SMILESCC(C)COc1nc2ccccc2c(=O)n1C1CCCCC1
InChIInChI=1S/C18H24N2O2/c1-13(2)12-22-18-19-16-11-7-6-10-15(16)17(21)20(18)14-8-4-3-5-9-14/h6-7,10-11,13-14H,3-5,8-9,12H2,1-2H3
InChIKeyMPIYCOQMTUGRQQ-UHFFFAOYSA-N
XLogP3.94
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Methaqualone
CID 6292
7,8,9,10-Tetrahydroazepino(2,1-b)quinazolin-12(6H)-one
CID 78144
4(3H)-Quinazolinone, 2-methyl-3-(2-methylphenyl)-, hydrochloride (1:1)
CID 63196
Proquinazid
CID 11057771
3-(2-Ethylphenyl)-2-methyl-4(3H)-quinazolinone
CID 23914
Deoxyvasicinone
CID 68261
2-Propoxy-3-propyl-4(3H)-quinazolinone
CID 11770728
ME0328
CID 135566764
3-Methyl-4(3H)-quinazolinone
CID 17088
Glycorine
CID 18992
3-phenyl-3H-quinazolin-4-one
CID 785275
2,3-Dihydro-5H-oxazolo[2,3-b]quinazolin-5-one
CID 726944

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-2-(2-methylpropoxy)quinazolin-4-one?
The IUPAC name of 3-cyclohexyl-2-(2-methylpropoxy)quinazolin-4-one (CID 915160) is 3-cyclohexyl-2-(2-methylpropoxy)quinazolin-4-one.
What is the SMILES notation for 3-cyclohexyl-2-(2-methylpropoxy)quinazolin-4-one?
The canonical SMILES for 3-cyclohexyl-2-(2-methylpropoxy)quinazolin-4-one is CC(C)COc1nc2ccccc2c(=O)n1C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-2-(2-methylpropoxy)quinazolin-4-one?
The InChIKey is MPIYCOQMTUGRQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-13(2)12-22-18-19-16-11-7-6-10-15(16)17(21)20(18)14-8-4-3-5-9-14/h6-7,10-11,13-14H,3-5,8-9,12H2,1-2H3.
What are the key properties of 3-cyclohexyl-2-(2-methylpropoxy)quinazolin-4-one?
3-cyclohexyl-2-(2-methylpropoxy)quinazolin-4-one has a molecular weight of 300.40 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-2-(2-methylpropoxy)quinazolin-4-one is sourced from PubChem (CID 915160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).