3-butyl-2-methyl-2-(2-methylpropyl)-1H-quinazolin-4-one

C17H26N2O — CID 54778507

IUPAC3-butyl-2-methyl-2-(2-methylpropyl)-1H-quinazolin-4-one
SMILESCCCCN1C(=O)c2ccccc2NC1(C)CC(C)C
InChIInChI=1S/C17H26N2O/c1-5-6-11-19-16(20)14-9-7-8-10-15(14)18-17(19,4)12-13(2)3/h7-10,13,18H,5-6,11-12H2,1-4H3
InChIKeyAUQLTOZHCKVWIL-UHFFFAOYSA-N
MW274.41 g/mol
LogP4.12
Rot. Bonds5

About 3-butyl-2-methyl-2-(2-methylpropyl)-1H-quinazolin-4-one

3-butyl-2-methyl-2-(2-methylpropyl)-1H-quinazolin-4-one (PubChem CID 54778507) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 3-butyl-2-methyl-2-(2-methylpropyl)-1H-quinazolin-4-one.

Molecular Properties

Compound Name3-butyl-2-methyl-2-(2-methylpropyl)-1H-quinazolin-4-one
PubChem CID54778507
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name3-butyl-2-methyl-2-(2-methylpropyl)-1H-quinazolin-4-one
SMILESCCCCN1C(=O)c2ccccc2NC1(C)CC(C)C
InChIInChI=1S/C17H26N2O/c1-5-6-11-19-16(20)14-9-7-8-10-15(14)18-17(19,4)12-13(2)3/h7-10,13,18H,5-6,11-12H2,1-4H3
InChIKeyAUQLTOZHCKVWIL-UHFFFAOYSA-N
XLogP4.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-2-methyl-2-(2-methylpropyl)-1H-quinazolin-4-one?
The IUPAC name of 3-butyl-2-methyl-2-(2-methylpropyl)-1H-quinazolin-4-one (CID 54778507) is 3-butyl-2-methyl-2-(2-methylpropyl)-1H-quinazolin-4-one.
What is the SMILES notation for 3-butyl-2-methyl-2-(2-methylpropyl)-1H-quinazolin-4-one?
The canonical SMILES for 3-butyl-2-methyl-2-(2-methylpropyl)-1H-quinazolin-4-one is CCCCN1C(=O)c2ccccc2NC1(C)CC(C)C.
What is the InChIKey of 3-butyl-2-methyl-2-(2-methylpropyl)-1H-quinazolin-4-one?
The InChIKey is AUQLTOZHCKVWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-5-6-11-19-16(20)14-9-7-8-10-15(14)18-17(19,4)12-13(2)3/h7-10,13,18H,5-6,11-12H2,1-4H3.
What are the key properties of 3-butyl-2-methyl-2-(2-methylpropyl)-1H-quinazolin-4-one?
3-butyl-2-methyl-2-(2-methylpropyl)-1H-quinazolin-4-one has a molecular weight of 274.41 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-2-methyl-2-(2-methylpropyl)-1H-quinazolin-4-one is sourced from PubChem (CID 54778507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).