3-(2-morpholin-4-yl-2-oxoethyl)-2-(3,4,5-trimethoxyphenyl)quinazolin-4-one

C23H25N3O6 — CID 3068403

IUPAC3-(2-morpholin-4-yl-2-oxoethyl)-2-(3,4,5-trimethoxyphenyl)quinazolin-4-one
SMILESCOc1cc(-c2nc3ccccc3c(=O)n2CC(=O)N2CCOCC2)cc(OC)c1OC
InChIInChI=1S/C23H25N3O6/c1-29-18-12-15(13-19(30-2)21(18)31-3)22-24-17-7-5-4-6-16(17)23(28)26(22)14-20(27)25-8-10-32-11-9-25/h4-7,12-13H,8-11,14H2,1-3H3
InChIKeyFXPRMIFOGNISQN-UHFFFAOYSA-N
MW439.47 g/mol
LogP1.95
Rot. Bonds6

About 3-(2-morpholin-4-yl-2-oxoethyl)-2-(3,4,5-trimethoxyphenyl)quinazolin-4-one

3-(2-morpholin-4-yl-2-oxoethyl)-2-(3,4,5-trimethoxyphenyl)quinazolin-4-one (PubChem CID 3068403) has the molecular formula C23H25N3O6 and a molecular weight of 439.47 g/mol. Its IUPAC name is 3-(2-morpholin-4-yl-2-oxoethyl)-2-(3,4,5-trimethoxyphenyl)quinazolin-4-one.

Molecular Properties

Compound Name3-(2-morpholin-4-yl-2-oxoethyl)-2-(3,4,5-trimethoxyphenyl)quinazolin-4-one
PubChem CID3068403
Molecular FormulaC23H25N3O6
Molecular Weight439.47 g/mol
Exact Mass439.17
IUPAC Name3-(2-morpholin-4-yl-2-oxoethyl)-2-(3,4,5-trimethoxyphenyl)quinazolin-4-one
SMILESCOc1cc(-c2nc3ccccc3c(=O)n2CC(=O)N2CCOCC2)cc(OC)c1OC
InChIInChI=1S/C23H25N3O6/c1-29-18-12-15(13-19(30-2)21(18)31-3)22-24-17-7-5-4-6-16(17)23(28)26(22)14-20(27)25-8-10-32-11-9-25/h4-7,12-13H,8-11,14H2,1-3H3
InChIKeyFXPRMIFOGNISQN-UHFFFAOYSA-N
XLogP1.95
TPSA92.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.47
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(2-morpholin-4-yl-2-oxoethyl)-2-(3,4,5-trimethoxyphenyl)quinazolin-4-one?
The IUPAC name of 3-(2-morpholin-4-yl-2-oxoethyl)-2-(3,4,5-trimethoxyphenyl)quinazolin-4-one (CID 3068403) is 3-(2-morpholin-4-yl-2-oxoethyl)-2-(3,4,5-trimethoxyphenyl)quinazolin-4-one.
What is the SMILES notation for 3-(2-morpholin-4-yl-2-oxoethyl)-2-(3,4,5-trimethoxyphenyl)quinazolin-4-one?
The canonical SMILES for 3-(2-morpholin-4-yl-2-oxoethyl)-2-(3,4,5-trimethoxyphenyl)quinazolin-4-one is COc1cc(-c2nc3ccccc3c(=O)n2CC(=O)N2CCOCC2)cc(OC)c1OC.
What is the InChIKey of 3-(2-morpholin-4-yl-2-oxoethyl)-2-(3,4,5-trimethoxyphenyl)quinazolin-4-one?
The InChIKey is FXPRMIFOGNISQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O6/c1-29-18-12-15(13-19(30-2)21(18)31-3)22-24-17-7-5-4-6-16(17)23(28)26(22)14-20(27)25-8-10-32-11-9-25/h4-7,12-13H,8-11,14H2,1-3H3.
What are the key properties of 3-(2-morpholin-4-yl-2-oxoethyl)-2-(3,4,5-trimethoxyphenyl)quinazolin-4-one?
3-(2-morpholin-4-yl-2-oxoethyl)-2-(3,4,5-trimethoxyphenyl)quinazolin-4-one has a molecular weight of 439.47 g/mol, XLogP of 1.95, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-morpholin-4-yl-2-oxoethyl)-2-(3,4,5-trimethoxyphenyl)quinazolin-4-one is sourced from PubChem (CID 3068403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).