6-(1-hydroxy-2,2-dimethylbutyl)-3-methyl-1,4-dihydroquinazolin-2-one

C15H22N2O2 — CID 82009726

IUPAC6-(1-hydroxy-2,2-dimethylbutyl)-3-methyl-1,4-dihydroquinazolin-2-one
SMILESCCC(C)(C)C(O)c1ccc2c(c1)CN(C)C(=O)N2
InChIInChI=1S/C15H22N2O2/c1-5-15(2,3)13(18)10-6-7-12-11(8-10)9-17(4)14(19)16-12/h6-8,13,18H,5,9H2,1-4H3,(H,16,19)
InChIKeyRQPJNLBUXNOQHY-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.13
Rot. Bonds3

About 6-(1-hydroxy-2,2-dimethylbutyl)-3-methyl-1,4-dihydroquinazolin-2-one

6-(1-hydroxy-2,2-dimethylbutyl)-3-methyl-1,4-dihydroquinazolin-2-one (PubChem CID 82009726) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 6-(1-hydroxy-2,2-dimethylbutyl)-3-methyl-1,4-dihydroquinazolin-2-one.

Molecular Properties

Compound Name6-(1-hydroxy-2,2-dimethylbutyl)-3-methyl-1,4-dihydroquinazolin-2-one
PubChem CID82009726
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name6-(1-hydroxy-2,2-dimethylbutyl)-3-methyl-1,4-dihydroquinazolin-2-one
SMILESCCC(C)(C)C(O)c1ccc2c(c1)CN(C)C(=O)N2
InChIInChI=1S/C15H22N2O2/c1-5-15(2,3)13(18)10-6-7-12-11(8-10)9-17(4)14(19)16-12/h6-8,13,18H,5,9H2,1-4H3,(H,16,19)
InChIKeyRQPJNLBUXNOQHY-UHFFFAOYSA-N
XLogP3.13
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(1-hydroxy-2,2-dimethylbutyl)-3-methyl-1,4-dihydroquinazolin-2-one?
The IUPAC name of 6-(1-hydroxy-2,2-dimethylbutyl)-3-methyl-1,4-dihydroquinazolin-2-one (CID 82009726) is 6-(1-hydroxy-2,2-dimethylbutyl)-3-methyl-1,4-dihydroquinazolin-2-one.
What is the SMILES notation for 6-(1-hydroxy-2,2-dimethylbutyl)-3-methyl-1,4-dihydroquinazolin-2-one?
The canonical SMILES for 6-(1-hydroxy-2,2-dimethylbutyl)-3-methyl-1,4-dihydroquinazolin-2-one is CCC(C)(C)C(O)c1ccc2c(c1)CN(C)C(=O)N2.
What is the InChIKey of 6-(1-hydroxy-2,2-dimethylbutyl)-3-methyl-1,4-dihydroquinazolin-2-one?
The InChIKey is RQPJNLBUXNOQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-5-15(2,3)13(18)10-6-7-12-11(8-10)9-17(4)14(19)16-12/h6-8,13,18H,5,9H2,1-4H3,(H,16,19).
What are the key properties of 6-(1-hydroxy-2,2-dimethylbutyl)-3-methyl-1,4-dihydroquinazolin-2-one?
6-(1-hydroxy-2,2-dimethylbutyl)-3-methyl-1,4-dihydroquinazolin-2-one has a molecular weight of 262.35 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-hydroxy-2,2-dimethylbutyl)-3-methyl-1,4-dihydroquinazolin-2-one is sourced from PubChem (CID 82009726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).