3-butan-2-yl-2-(3-methoxyphenyl)-2-methyl-1H-quinazolin-4-one

C20H24N2O2 — CID 54779151

IUPAC3-butan-2-yl-2-(3-methoxyphenyl)-2-methyl-1H-quinazolin-4-one
SMILESCCC(C)N1C(=O)c2ccccc2NC1(C)c1cccc(OC)c1
InChIInChI=1S/C20H24N2O2/c1-5-14(2)22-19(23)17-11-6-7-12-18(17)21-20(22,3)15-9-8-10-16(13-15)24-4/h6-14,21H,5H2,1-4H3
InChIKeyVDWSQLWDWOKDFZ-UHFFFAOYSA-N
MW324.42 g/mol
LogP4.23
Rot. Bonds4

About 3-butan-2-yl-2-(3-methoxyphenyl)-2-methyl-1H-quinazolin-4-one

3-butan-2-yl-2-(3-methoxyphenyl)-2-methyl-1H-quinazolin-4-one (PubChem CID 54779151) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 3-butan-2-yl-2-(3-methoxyphenyl)-2-methyl-1H-quinazolin-4-one.

Molecular Properties

Compound Name3-butan-2-yl-2-(3-methoxyphenyl)-2-methyl-1H-quinazolin-4-one
PubChem CID54779151
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name3-butan-2-yl-2-(3-methoxyphenyl)-2-methyl-1H-quinazolin-4-one
SMILESCCC(C)N1C(=O)c2ccccc2NC1(C)c1cccc(OC)c1
InChIInChI=1S/C20H24N2O2/c1-5-14(2)22-19(23)17-11-6-7-12-18(17)21-20(22,3)15-9-8-10-16(13-15)24-4/h6-14,21H,5H2,1-4H3
InChIKeyVDWSQLWDWOKDFZ-UHFFFAOYSA-N
XLogP4.23
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-2-(3-methoxyphenyl)-2-methyl-1H-quinazolin-4-one?
The IUPAC name of 3-butan-2-yl-2-(3-methoxyphenyl)-2-methyl-1H-quinazolin-4-one (CID 54779151) is 3-butan-2-yl-2-(3-methoxyphenyl)-2-methyl-1H-quinazolin-4-one.
What is the SMILES notation for 3-butan-2-yl-2-(3-methoxyphenyl)-2-methyl-1H-quinazolin-4-one?
The canonical SMILES for 3-butan-2-yl-2-(3-methoxyphenyl)-2-methyl-1H-quinazolin-4-one is CCC(C)N1C(=O)c2ccccc2NC1(C)c1cccc(OC)c1.
What is the InChIKey of 3-butan-2-yl-2-(3-methoxyphenyl)-2-methyl-1H-quinazolin-4-one?
The InChIKey is VDWSQLWDWOKDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-5-14(2)22-19(23)17-11-6-7-12-18(17)21-20(22,3)15-9-8-10-16(13-15)24-4/h6-14,21H,5H2,1-4H3.
What are the key properties of 3-butan-2-yl-2-(3-methoxyphenyl)-2-methyl-1H-quinazolin-4-one?
3-butan-2-yl-2-(3-methoxyphenyl)-2-methyl-1H-quinazolin-4-one has a molecular weight of 324.42 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-2-(3-methoxyphenyl)-2-methyl-1H-quinazolin-4-one is sourced from PubChem (CID 54779151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).