3-butan-2-yl-2-(4-ethoxyphenyl)-1,2-dihydroquinazolin-4-one

C20H24N2O2 — CID 54779004

IUPAC3-butan-2-yl-2-(4-ethoxyphenyl)-1,2-dihydroquinazolin-4-one
SMILESCCOc1ccc(C2Nc3ccccc3C(=O)N2C(C)CC)cc1
InChIInChI=1S/C20H24N2O2/c1-4-14(3)22-19(15-10-12-16(13-11-15)24-5-2)21-18-9-7-6-8-17(18)20(22)23/h6-14,19,21H,4-5H2,1-3H3
InChIKeyJAJLNCZGNUHZRP-UHFFFAOYSA-N
MW324.42 g/mol
LogP4.45
Rot. Bonds5

About 3-butan-2-yl-2-(4-ethoxyphenyl)-1,2-dihydroquinazolin-4-one

3-butan-2-yl-2-(4-ethoxyphenyl)-1,2-dihydroquinazolin-4-one (PubChem CID 54779004) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 3-butan-2-yl-2-(4-ethoxyphenyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name3-butan-2-yl-2-(4-ethoxyphenyl)-1,2-dihydroquinazolin-4-one
PubChem CID54779004
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name3-butan-2-yl-2-(4-ethoxyphenyl)-1,2-dihydroquinazolin-4-one
SMILESCCOc1ccc(C2Nc3ccccc3C(=O)N2C(C)CC)cc1
InChIInChI=1S/C20H24N2O2/c1-4-14(3)22-19(15-10-12-16(13-11-15)24-5-2)21-18-9-7-6-8-17(18)20(22)23/h6-14,19,21H,4-5H2,1-3H3
InChIKeyJAJLNCZGNUHZRP-UHFFFAOYSA-N
XLogP4.45
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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-butan-2-yl-2-(4-ethoxyphenyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of 3-butan-2-yl-2-(4-ethoxyphenyl)-1,2-dihydroquinazolin-4-one (CID 54779004) is 3-butan-2-yl-2-(4-ethoxyphenyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 3-butan-2-yl-2-(4-ethoxyphenyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 3-butan-2-yl-2-(4-ethoxyphenyl)-1,2-dihydroquinazolin-4-one is CCOc1ccc(C2Nc3ccccc3C(=O)N2C(C)CC)cc1.
What is the InChIKey of 3-butan-2-yl-2-(4-ethoxyphenyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is JAJLNCZGNUHZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-4-14(3)22-19(15-10-12-16(13-11-15)24-5-2)21-18-9-7-6-8-17(18)20(22)23/h6-14,19,21H,4-5H2,1-3H3.
What are the key properties of 3-butan-2-yl-2-(4-ethoxyphenyl)-1,2-dihydroquinazolin-4-one?
3-butan-2-yl-2-(4-ethoxyphenyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 324.42 g/mol, XLogP of 4.45, 5 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-(4-ethoxyphenyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 54779004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).