2-(4-methoxyphenyl)-3-(2-morpholin-4-ylethyl)quinazolin-4-one

C21H23N3O3 — CID 1249508

IUPAC2-(4-methoxyphenyl)-3-(2-morpholin-4-ylethyl)quinazolin-4-one
SMILESCOc1ccc(-c2nc3ccccc3c(=O)n2CCN2CCOCC2)cc1
InChIInChI=1S/C21H23N3O3/c1-26-17-8-6-16(7-9-17)20-22-19-5-3-2-4-18(19)21(25)24(20)11-10-23-12-14-27-15-13-23/h2-9H,10-15H2,1H3
InChIKeyGBDOHTMVCUBAKN-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.40
Rot. Bonds5

About 2-(4-methoxyphenyl)-3-(2-morpholin-4-ylethyl)quinazolin-4-one

2-(4-methoxyphenyl)-3-(2-morpholin-4-ylethyl)quinazolin-4-one (PubChem CID 1249508) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-3-(2-morpholin-4-ylethyl)quinazolin-4-one.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-3-(2-morpholin-4-ylethyl)quinazolin-4-one
PubChem CID1249508
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name2-(4-methoxyphenyl)-3-(2-morpholin-4-ylethyl)quinazolin-4-one
SMILESCOc1ccc(-c2nc3ccccc3c(=O)n2CCN2CCOCC2)cc1
InChIInChI=1S/C21H23N3O3/c1-26-17-8-6-16(7-9-17)20-22-19-5-3-2-4-18(19)21(25)24(20)11-10-23-12-14-27-15-13-23/h2-9H,10-15H2,1H3
InChIKeyGBDOHTMVCUBAKN-UHFFFAOYSA-N
XLogP2.40
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-3-(2-morpholin-4-ylethyl)quinazolin-4-one?
The IUPAC name of 2-(4-methoxyphenyl)-3-(2-morpholin-4-ylethyl)quinazolin-4-one (CID 1249508) is 2-(4-methoxyphenyl)-3-(2-morpholin-4-ylethyl)quinazolin-4-one.
What is the SMILES notation for 2-(4-methoxyphenyl)-3-(2-morpholin-4-ylethyl)quinazolin-4-one?
The canonical SMILES for 2-(4-methoxyphenyl)-3-(2-morpholin-4-ylethyl)quinazolin-4-one is COc1ccc(-c2nc3ccccc3c(=O)n2CCN2CCOCC2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-3-(2-morpholin-4-ylethyl)quinazolin-4-one?
The InChIKey is GBDOHTMVCUBAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-26-17-8-6-16(7-9-17)20-22-19-5-3-2-4-18(19)21(25)24(20)11-10-23-12-14-27-15-13-23/h2-9H,10-15H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)-3-(2-morpholin-4-ylethyl)quinazolin-4-one?
2-(4-methoxyphenyl)-3-(2-morpholin-4-ylethyl)quinazolin-4-one has a molecular weight of 365.43 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-3-(2-morpholin-4-ylethyl)quinazolin-4-one is sourced from PubChem (CID 1249508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).