3-propan-2-yl-2-(2-propan-2-yloxyphenyl)-1,2-dihydroquinazolin-4-one

C20H24N2O2 — CID 54777908

IUPAC3-propan-2-yl-2-(2-propan-2-yloxyphenyl)-1,2-dihydroquinazolin-4-one
SMILESCC(C)Oc1ccccc1C1Nc2ccccc2C(=O)N1C(C)C
InChIInChI=1S/C20H24N2O2/c1-13(2)22-19(16-10-6-8-12-18(16)24-14(3)4)21-17-11-7-5-9-15(17)20(22)23/h5-14,19,21H,1-4H3
InChIKeyYOWUNNYRMVCDBO-UHFFFAOYSA-N
MW324.42 g/mol
LogP4.45
Rot. Bonds4

About 3-propan-2-yl-2-(2-propan-2-yloxyphenyl)-1,2-dihydroquinazolin-4-one

3-propan-2-yl-2-(2-propan-2-yloxyphenyl)-1,2-dihydroquinazolin-4-one (PubChem CID 54777908) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 3-propan-2-yl-2-(2-propan-2-yloxyphenyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name3-propan-2-yl-2-(2-propan-2-yloxyphenyl)-1,2-dihydroquinazolin-4-one
PubChem CID54777908
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name3-propan-2-yl-2-(2-propan-2-yloxyphenyl)-1,2-dihydroquinazolin-4-one
SMILESCC(C)Oc1ccccc1C1Nc2ccccc2C(=O)N1C(C)C
InChIInChI=1S/C20H24N2O2/c1-13(2)22-19(16-10-6-8-12-18(16)24-14(3)4)21-17-11-7-5-9-15(17)20(22)23/h5-14,19,21H,1-4H3
InChIKeyYOWUNNYRMVCDBO-UHFFFAOYSA-N
XLogP4.45
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 ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-2-(2-propan-2-yloxyphenyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of 3-propan-2-yl-2-(2-propan-2-yloxyphenyl)-1,2-dihydroquinazolin-4-one (CID 54777908) is 3-propan-2-yl-2-(2-propan-2-yloxyphenyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 3-propan-2-yl-2-(2-propan-2-yloxyphenyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 3-propan-2-yl-2-(2-propan-2-yloxyphenyl)-1,2-dihydroquinazolin-4-one is CC(C)Oc1ccccc1C1Nc2ccccc2C(=O)N1C(C)C.
What is the InChIKey of 3-propan-2-yl-2-(2-propan-2-yloxyphenyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is YOWUNNYRMVCDBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-13(2)22-19(16-10-6-8-12-18(16)24-14(3)4)21-17-11-7-5-9-15(17)20(22)23/h5-14,19,21H,1-4H3.
What are the key properties of 3-propan-2-yl-2-(2-propan-2-yloxyphenyl)-1,2-dihydroquinazolin-4-one?
3-propan-2-yl-2-(2-propan-2-yloxyphenyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 324.42 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-2-(2-propan-2-yloxyphenyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 54777908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).