2,2-diethyl-3-(4-methoxyphenyl)-1H-quinazolin-4-one

C19H22N2O2 — CID 703596

IUPAC2,2-diethyl-3-(4-methoxyphenyl)-1H-quinazolin-4-one
SMILESCCC1(CC)Nc2ccccc2C(=O)N1c1ccc(OC)cc1
InChIInChI=1S/C19H22N2O2/c1-4-19(5-2)20-17-9-7-6-8-16(17)18(22)21(19)14-10-12-15(23-3)13-11-14/h6-13,20H,4-5H2,1-3H3
InChIKeySFNQOGDRQDZZFF-UHFFFAOYSA-N
MW310.40 g/mol
LogP4.28
Rot. Bonds4

About 2,2-diethyl-3-(4-methoxyphenyl)-1H-quinazolin-4-one

2,2-diethyl-3-(4-methoxyphenyl)-1H-quinazolin-4-one (PubChem CID 703596) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 2,2-diethyl-3-(4-methoxyphenyl)-1H-quinazolin-4-one.

Molecular Properties

Compound Name2,2-diethyl-3-(4-methoxyphenyl)-1H-quinazolin-4-one
PubChem CID703596
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name2,2-diethyl-3-(4-methoxyphenyl)-1H-quinazolin-4-one
SMILESCCC1(CC)Nc2ccccc2C(=O)N1c1ccc(OC)cc1
InChIInChI=1S/C19H22N2O2/c1-4-19(5-2)20-17-9-7-6-8-16(17)18(22)21(19)14-10-12-15(23-3)13-11-14/h6-13,20H,4-5H2,1-3H3
InChIKeySFNQOGDRQDZZFF-UHFFFAOYSA-N
XLogP4.28
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-3-(4-methoxyphenyl)-1H-quinazolin-4-one?
The IUPAC name of 2,2-diethyl-3-(4-methoxyphenyl)-1H-quinazolin-4-one (CID 703596) is 2,2-diethyl-3-(4-methoxyphenyl)-1H-quinazolin-4-one.
What is the SMILES notation for 2,2-diethyl-3-(4-methoxyphenyl)-1H-quinazolin-4-one?
The canonical SMILES for 2,2-diethyl-3-(4-methoxyphenyl)-1H-quinazolin-4-one is CCC1(CC)Nc2ccccc2C(=O)N1c1ccc(OC)cc1.
What is the InChIKey of 2,2-diethyl-3-(4-methoxyphenyl)-1H-quinazolin-4-one?
The InChIKey is SFNQOGDRQDZZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-4-19(5-2)20-17-9-7-6-8-16(17)18(22)21(19)14-10-12-15(23-3)13-11-14/h6-13,20H,4-5H2,1-3H3.
What are the key properties of 2,2-diethyl-3-(4-methoxyphenyl)-1H-quinazolin-4-one?
2,2-diethyl-3-(4-methoxyphenyl)-1H-quinazolin-4-one has a molecular weight of 310.40 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-3-(4-methoxyphenyl)-1H-quinazolin-4-one is sourced from PubChem (CID 703596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).