2-(3-ethoxyphenyl)-2,3-dimethyl-1H-quinazolin-4-one

C18H20N2O2 — CID 54778423

IUPAC2-(3-ethoxyphenyl)-2,3-dimethyl-1H-quinazolin-4-one
SMILESCCOc1cccc(C2(C)Nc3ccccc3C(=O)N2C)c1
InChIInChI=1S/C18H20N2O2/c1-4-22-14-9-7-8-13(12-14)18(2)19-16-11-6-5-10-15(16)17(21)20(18)3/h5-12,19H,4H2,1-3H3
InChIKeyKDVVTMJOTQTCFU-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.46
Rot. Bonds3

About 2-(3-ethoxyphenyl)-2,3-dimethyl-1H-quinazolin-4-one

2-(3-ethoxyphenyl)-2,3-dimethyl-1H-quinazolin-4-one (PubChem CID 54778423) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-(3-ethoxyphenyl)-2,3-dimethyl-1H-quinazolin-4-one.

Molecular Properties

Compound Name2-(3-ethoxyphenyl)-2,3-dimethyl-1H-quinazolin-4-one
PubChem CID54778423
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name2-(3-ethoxyphenyl)-2,3-dimethyl-1H-quinazolin-4-one
SMILESCCOc1cccc(C2(C)Nc3ccccc3C(=O)N2C)c1
InChIInChI=1S/C18H20N2O2/c1-4-22-14-9-7-8-13(12-14)18(2)19-16-11-6-5-10-15(16)17(21)20(18)3/h5-12,19H,4H2,1-3H3
InChIKeyKDVVTMJOTQTCFU-UHFFFAOYSA-N
XLogP3.46
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxyphenyl)-2,3-dimethyl-1H-quinazolin-4-one?
The IUPAC name of 2-(3-ethoxyphenyl)-2,3-dimethyl-1H-quinazolin-4-one (CID 54778423) is 2-(3-ethoxyphenyl)-2,3-dimethyl-1H-quinazolin-4-one.
What is the SMILES notation for 2-(3-ethoxyphenyl)-2,3-dimethyl-1H-quinazolin-4-one?
The canonical SMILES for 2-(3-ethoxyphenyl)-2,3-dimethyl-1H-quinazolin-4-one is CCOc1cccc(C2(C)Nc3ccccc3C(=O)N2C)c1.
What is the InChIKey of 2-(3-ethoxyphenyl)-2,3-dimethyl-1H-quinazolin-4-one?
The InChIKey is KDVVTMJOTQTCFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-4-22-14-9-7-8-13(12-14)18(2)19-16-11-6-5-10-15(16)17(21)20(18)3/h5-12,19H,4H2,1-3H3.
What are the key properties of 2-(3-ethoxyphenyl)-2,3-dimethyl-1H-quinazolin-4-one?
2-(3-ethoxyphenyl)-2,3-dimethyl-1H-quinazolin-4-one has a molecular weight of 296.37 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxyphenyl)-2,3-dimethyl-1H-quinazolin-4-one is sourced from PubChem (CID 54778423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).