2-(2-ethoxyphenyl)-2-methyl-3-propan-2-yl-1H-quinazolin-4-one

C20H24N2O2 — CID 54777902

IUPAC2-(2-ethoxyphenyl)-2-methyl-3-propan-2-yl-1H-quinazolin-4-one
SMILESCCOc1ccccc1C1(C)Nc2ccccc2C(=O)N1C(C)C
InChIInChI=1S/C20H24N2O2/c1-5-24-18-13-9-7-11-16(18)20(4)21-17-12-8-6-10-15(17)19(23)22(20)14(2)3/h6-14,21H,5H2,1-4H3
InChIKeyCIYXARBJWRTLAL-UHFFFAOYSA-N
MW324.42 g/mol
LogP4.23
Rot. Bonds4

About 2-(2-ethoxyphenyl)-2-methyl-3-propan-2-yl-1H-quinazolin-4-one

2-(2-ethoxyphenyl)-2-methyl-3-propan-2-yl-1H-quinazolin-4-one (PubChem CID 54777902) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 2-(2-ethoxyphenyl)-2-methyl-3-propan-2-yl-1H-quinazolin-4-one.

Molecular Properties

Compound Name2-(2-ethoxyphenyl)-2-methyl-3-propan-2-yl-1H-quinazolin-4-one
PubChem CID54777902
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name2-(2-ethoxyphenyl)-2-methyl-3-propan-2-yl-1H-quinazolin-4-one
SMILESCCOc1ccccc1C1(C)Nc2ccccc2C(=O)N1C(C)C
InChIInChI=1S/C20H24N2O2/c1-5-24-18-13-9-7-11-16(18)20(4)21-17-12-8-6-10-15(17)19(23)22(20)14(2)3/h6-14,21H,5H2,1-4H3
InChIKeyCIYXARBJWRTLAL-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 2-(2-ethoxyphenyl)-2-methyl-3-propan-2-yl-1H-quinazolin-4-one?
The IUPAC name of 2-(2-ethoxyphenyl)-2-methyl-3-propan-2-yl-1H-quinazolin-4-one (CID 54777902) is 2-(2-ethoxyphenyl)-2-methyl-3-propan-2-yl-1H-quinazolin-4-one.
What is the SMILES notation for 2-(2-ethoxyphenyl)-2-methyl-3-propan-2-yl-1H-quinazolin-4-one?
The canonical SMILES for 2-(2-ethoxyphenyl)-2-methyl-3-propan-2-yl-1H-quinazolin-4-one is CCOc1ccccc1C1(C)Nc2ccccc2C(=O)N1C(C)C.
What is the InChIKey of 2-(2-ethoxyphenyl)-2-methyl-3-propan-2-yl-1H-quinazolin-4-one?
The InChIKey is CIYXARBJWRTLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-5-24-18-13-9-7-11-16(18)20(4)21-17-12-8-6-10-15(17)19(23)22(20)14(2)3/h6-14,21H,5H2,1-4H3.
What are the key properties of 2-(2-ethoxyphenyl)-2-methyl-3-propan-2-yl-1H-quinazolin-4-one?
2-(2-ethoxyphenyl)-2-methyl-3-propan-2-yl-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 2-(2-ethoxyphenyl)-2-methyl-3-propan-2-yl-1H-quinazolin-4-one is sourced from PubChem (CID 54777902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).