3-(2,4-dimethoxyphenyl)-2-(morpholin-4-ylmethyl)quinazolin-4-one

C21H23N3O4 — CID 991506

IUPAC3-(2,4-dimethoxyphenyl)-2-(morpholin-4-ylmethyl)quinazolin-4-one
SMILESCOc1ccc(-n2c(CN3CCOCC3)nc3ccccc3c2=O)c(OC)c1
InChIInChI=1S/C21H23N3O4/c1-26-15-7-8-18(19(13-15)27-2)24-20(14-23-9-11-28-12-10-23)22-17-6-4-3-5-16(17)21(24)25/h3-8,13H,9-12,14H2,1-2H3
InChIKeyQQUUWCGEIXEAFH-UHFFFAOYSA-N
MW381.43 g/mol
LogP2.24
Rot. Bonds5

About 3-(2,4-dimethoxyphenyl)-2-(morpholin-4-ylmethyl)quinazolin-4-one

3-(2,4-dimethoxyphenyl)-2-(morpholin-4-ylmethyl)quinazolin-4-one (PubChem CID 991506) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is 3-(2,4-dimethoxyphenyl)-2-(morpholin-4-ylmethyl)quinazolin-4-one.

Molecular Properties

Compound Name3-(2,4-dimethoxyphenyl)-2-(morpholin-4-ylmethyl)quinazolin-4-one
PubChem CID991506
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Name3-(2,4-dimethoxyphenyl)-2-(morpholin-4-ylmethyl)quinazolin-4-one
SMILESCOc1ccc(-n2c(CN3CCOCC3)nc3ccccc3c2=O)c(OC)c1
InChIInChI=1S/C21H23N3O4/c1-26-15-7-8-18(19(13-15)27-2)24-20(14-23-9-11-28-12-10-23)22-17-6-4-3-5-16(17)21(24)25/h3-8,13H,9-12,14H2,1-2H3
InChIKeyQQUUWCGEIXEAFH-UHFFFAOYSA-N
XLogP2.24
TPSA65.82 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxyphenyl)-2-(morpholin-4-ylmethyl)quinazolin-4-one?
The IUPAC name of 3-(2,4-dimethoxyphenyl)-2-(morpholin-4-ylmethyl)quinazolin-4-one (CID 991506) is 3-(2,4-dimethoxyphenyl)-2-(morpholin-4-ylmethyl)quinazolin-4-one.
What is the SMILES notation for 3-(2,4-dimethoxyphenyl)-2-(morpholin-4-ylmethyl)quinazolin-4-one?
The canonical SMILES for 3-(2,4-dimethoxyphenyl)-2-(morpholin-4-ylmethyl)quinazolin-4-one is COc1ccc(-n2c(CN3CCOCC3)nc3ccccc3c2=O)c(OC)c1.
What is the InChIKey of 3-(2,4-dimethoxyphenyl)-2-(morpholin-4-ylmethyl)quinazolin-4-one?
The InChIKey is QQUUWCGEIXEAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-26-15-7-8-18(19(13-15)27-2)24-20(14-23-9-11-28-12-10-23)22-17-6-4-3-5-16(17)21(24)25/h3-8,13H,9-12,14H2,1-2H3.
What are the key properties of 3-(2,4-dimethoxyphenyl)-2-(morpholin-4-ylmethyl)quinazolin-4-one?
3-(2,4-dimethoxyphenyl)-2-(morpholin-4-ylmethyl)quinazolin-4-one has a molecular weight of 381.43 g/mol, XLogP of 2.24, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethoxyphenyl)-2-(morpholin-4-ylmethyl)quinazolin-4-one is sourced from PubChem (CID 991506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).