2,3-dimethyl-2-[2-(3-methylbutoxy)phenyl]-1H-quinazolin-4-one

C21H26N2O2 — CID 54778385

IUPAC2,3-dimethyl-2-[2-(3-methylbutoxy)phenyl]-1H-quinazolin-4-one
SMILESCC(C)CCOc1ccccc1C1(C)Nc2ccccc2C(=O)N1C
InChIInChI=1S/C21H26N2O2/c1-15(2)13-14-25-19-12-8-6-10-17(19)21(3)22-18-11-7-5-9-16(18)20(24)23(21)4/h5-12,15,22H,13-14H2,1-4H3
InChIKeyVBEUFFMPTXJEQN-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.48
Rot. Bonds5

About 2,3-dimethyl-2-[2-(3-methylbutoxy)phenyl]-1H-quinazolin-4-one

2,3-dimethyl-2-[2-(3-methylbutoxy)phenyl]-1H-quinazolin-4-one (PubChem CID 54778385) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 2,3-dimethyl-2-[2-(3-methylbutoxy)phenyl]-1H-quinazolin-4-one.

Molecular Properties

Compound Name2,3-dimethyl-2-[2-(3-methylbutoxy)phenyl]-1H-quinazolin-4-one
PubChem CID54778385
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name2,3-dimethyl-2-[2-(3-methylbutoxy)phenyl]-1H-quinazolin-4-one
SMILESCC(C)CCOc1ccccc1C1(C)Nc2ccccc2C(=O)N1C
InChIInChI=1S/C21H26N2O2/c1-15(2)13-14-25-19-12-8-6-10-17(19)21(3)22-18-11-7-5-9-16(18)20(24)23(21)4/h5-12,15,22H,13-14H2,1-4H3
InChIKeyVBEUFFMPTXJEQN-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 2,3-dimethyl-2-[2-(3-methylbutoxy)phenyl]-1H-quinazolin-4-one?
The IUPAC name of 2,3-dimethyl-2-[2-(3-methylbutoxy)phenyl]-1H-quinazolin-4-one (CID 54778385) is 2,3-dimethyl-2-[2-(3-methylbutoxy)phenyl]-1H-quinazolin-4-one.
What is the SMILES notation for 2,3-dimethyl-2-[2-(3-methylbutoxy)phenyl]-1H-quinazolin-4-one?
The canonical SMILES for 2,3-dimethyl-2-[2-(3-methylbutoxy)phenyl]-1H-quinazolin-4-one is CC(C)CCOc1ccccc1C1(C)Nc2ccccc2C(=O)N1C.
What is the InChIKey of 2,3-dimethyl-2-[2-(3-methylbutoxy)phenyl]-1H-quinazolin-4-one?
The InChIKey is VBEUFFMPTXJEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-15(2)13-14-25-19-12-8-6-10-17(19)21(3)22-18-11-7-5-9-16(18)20(24)23(21)4/h5-12,15,22H,13-14H2,1-4H3.
What are the key properties of 2,3-dimethyl-2-[2-(3-methylbutoxy)phenyl]-1H-quinazolin-4-one?
2,3-dimethyl-2-[2-(3-methylbutoxy)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 2,3-dimethyl-2-[2-(3-methylbutoxy)phenyl]-1H-quinazolin-4-one is sourced from PubChem (CID 54778385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).