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

C23H30N2O2 — CID 54779135

IUPAC3-butan-2-yl-2-(2-butan-2-yloxyphenyl)-2-methyl-1H-quinazolin-4-one
SMILESCCC(C)Oc1ccccc1C1(C)Nc2ccccc2C(=O)N1C(C)CC
InChIInChI=1S/C23H30N2O2/c1-6-16(3)25-22(26)18-12-8-10-14-20(18)24-23(25,5)19-13-9-11-15-21(19)27-17(4)7-2/h8-17,24H,6-7H2,1-5H3
InChIKeyXNWCTEYODWEBLW-UHFFFAOYSA-N
MW366.51 g/mol
LogP5.40
Rot. Bonds6

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

3-butan-2-yl-2-(2-butan-2-yloxyphenyl)-2-methyl-1H-quinazolin-4-one (PubChem CID 54779135) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 3-butan-2-yl-2-(2-butan-2-yloxyphenyl)-2-methyl-1H-quinazolin-4-one.

Molecular Properties

Compound Name3-butan-2-yl-2-(2-butan-2-yloxyphenyl)-2-methyl-1H-quinazolin-4-one
PubChem CID54779135
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC Name3-butan-2-yl-2-(2-butan-2-yloxyphenyl)-2-methyl-1H-quinazolin-4-one
SMILESCCC(C)Oc1ccccc1C1(C)Nc2ccccc2C(=O)N1C(C)CC
InChIInChI=1S/C23H30N2O2/c1-6-16(3)25-22(26)18-12-8-10-14-20(18)24-23(25,5)19-13-9-11-15-21(19)27-17(4)7-2/h8-17,24H,6-7H2,1-5H3
InChIKeyXNWCTEYODWEBLW-UHFFFAOYSA-N
XLogP5.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.51
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-ethoxyphenyl)-2-methyl-3-propan-2-yl-1H-quinazolin-4-one
CID 54777902
3-butan-2-yl-2-methyl-2-[2-(oxolan-2-ylmethoxy)phenyl]-1H-quinazolin-4-one
CID 54779127
3-butan-2-yl-2,2-dimethyl-1H-quinazolin-4-one
CID 54779141
3-ethyl-2-(2-methoxyphenyl)-2-methyl-1H-quinazolin-4-one
CID 54778006
3-butan-2-yl-2-(3-methoxyphenyl)-2-methyl-1H-quinazolin-4-one
CID 54779151
3-butan-2-yl-2-methyl-2-(4-pentoxyphenyl)-1H-quinazolin-4-one
CID 54779182
2-(2-ethoxyphenyl)-2,3-dimethyl-1H-quinazolin-4-one
CID 54778352
2,3-dimethyl-2-[2-(3-methylbutoxy)phenyl]-1H-quinazolin-4-one
CID 54778385
3-butan-2-yl-2-[3-(2-ethoxyethoxy)phenyl]-2-methyl-1H-quinazolin-4-one
CID 54779210
2-methyl-2-[2-(2-methylpropoxy)phenyl]-3-(2-phenylethyl)-1H-quinazolin-4-one
CID 54779009
2-(2-hexoxyphenyl)-2-methyl-3-propyl-1H-quinazolin-4-one
CID 54777791
2-methyl-2-[2-(3-methylbutoxy)phenyl]-3-prop-2-enyl-1H-quinazolin-4-one
CID 54779464

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-2-(2-butan-2-yloxyphenyl)-2-methyl-1H-quinazolin-4-one?
The IUPAC name of 3-butan-2-yl-2-(2-butan-2-yloxyphenyl)-2-methyl-1H-quinazolin-4-one (CID 54779135) is 3-butan-2-yl-2-(2-butan-2-yloxyphenyl)-2-methyl-1H-quinazolin-4-one.
What is the SMILES notation for 3-butan-2-yl-2-(2-butan-2-yloxyphenyl)-2-methyl-1H-quinazolin-4-one?
The canonical SMILES for 3-butan-2-yl-2-(2-butan-2-yloxyphenyl)-2-methyl-1H-quinazolin-4-one is CCC(C)Oc1ccccc1C1(C)Nc2ccccc2C(=O)N1C(C)CC.
What is the InChIKey of 3-butan-2-yl-2-(2-butan-2-yloxyphenyl)-2-methyl-1H-quinazolin-4-one?
The InChIKey is XNWCTEYODWEBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-6-16(3)25-22(26)18-12-8-10-14-20(18)24-23(25,5)19-13-9-11-15-21(19)27-17(4)7-2/h8-17,24H,6-7H2,1-5H3.
What are the key properties of 3-butan-2-yl-2-(2-butan-2-yloxyphenyl)-2-methyl-1H-quinazolin-4-one?
3-butan-2-yl-2-(2-butan-2-yloxyphenyl)-2-methyl-1H-quinazolin-4-one has a molecular weight of 366.51 g/mol, XLogP of 5.40, 6 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-(2-butan-2-yloxyphenyl)-2-methyl-1H-quinazolin-4-one is sourced from PubChem (CID 54779135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).