3-ethyl-2-methyl-2-[3-(2-methylpropoxy)phenyl]-1H-quinazolin-4-one

C21H26N2O2 — CID 54777990

IUPAC3-ethyl-2-methyl-2-[3-(2-methylpropoxy)phenyl]-1H-quinazolin-4-one
SMILESCCN1C(=O)c2ccccc2NC1(C)c1cccc(OCC(C)C)c1
InChIInChI=1S/C21H26N2O2/c1-5-23-20(24)18-11-6-7-12-19(18)22-21(23,4)16-9-8-10-17(13-16)25-14-15(2)3/h6-13,15,22H,5,14H2,1-4H3
InChIKeyUUBOOSHSCUOUOB-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.48
Rot. Bonds5

About 3-ethyl-2-methyl-2-[3-(2-methylpropoxy)phenyl]-1H-quinazolin-4-one

3-ethyl-2-methyl-2-[3-(2-methylpropoxy)phenyl]-1H-quinazolin-4-one (PubChem CID 54777990) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 3-ethyl-2-methyl-2-[3-(2-methylpropoxy)phenyl]-1H-quinazolin-4-one.

Molecular Properties

Compound Name3-ethyl-2-methyl-2-[3-(2-methylpropoxy)phenyl]-1H-quinazolin-4-one
PubChem CID54777990
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name3-ethyl-2-methyl-2-[3-(2-methylpropoxy)phenyl]-1H-quinazolin-4-one
SMILESCCN1C(=O)c2ccccc2NC1(C)c1cccc(OCC(C)C)c1
InChIInChI=1S/C21H26N2O2/c1-5-23-20(24)18-11-6-7-12-19(18)22-21(23,4)16-9-8-10-17(13-16)25-14-15(2)3/h6-13,15,22H,5,14H2,1-4H3
InChIKeyUUBOOSHSCUOUOB-UHFFFAOYSA-N
XLogP4.48
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-methyl-2-[3-(2-methylpropoxy)phenyl]-1H-quinazolin-4-one?
The IUPAC name of 3-ethyl-2-methyl-2-[3-(2-methylpropoxy)phenyl]-1H-quinazolin-4-one (CID 54777990) is 3-ethyl-2-methyl-2-[3-(2-methylpropoxy)phenyl]-1H-quinazolin-4-one.
What is the SMILES notation for 3-ethyl-2-methyl-2-[3-(2-methylpropoxy)phenyl]-1H-quinazolin-4-one?
The canonical SMILES for 3-ethyl-2-methyl-2-[3-(2-methylpropoxy)phenyl]-1H-quinazolin-4-one is CCN1C(=O)c2ccccc2NC1(C)c1cccc(OCC(C)C)c1.
What is the InChIKey of 3-ethyl-2-methyl-2-[3-(2-methylpropoxy)phenyl]-1H-quinazolin-4-one?
The InChIKey is UUBOOSHSCUOUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-5-23-20(24)18-11-6-7-12-19(18)22-21(23,4)16-9-8-10-17(13-16)25-14-15(2)3/h6-13,15,22H,5,14H2,1-4H3.
What are the key properties of 3-ethyl-2-methyl-2-[3-(2-methylpropoxy)phenyl]-1H-quinazolin-4-one?
3-ethyl-2-methyl-2-[3-(2-methylpropoxy)phenyl]-1H-quinazolin-4-one has a molecular weight of 338.45 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-methyl-2-[3-(2-methylpropoxy)phenyl]-1H-quinazolin-4-one is sourced from PubChem (CID 54777990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).