5,5-dimethyl-2-(morpholin-4-ylmethyl)-3,6-dihydrobenzo[h]quinazolin-4-one

C19H23N3O2 — CID 135465168

IUPAC5,5-dimethyl-2-(morpholin-4-ylmethyl)-3,6-dihydrobenzo[h]quinazolin-4-one
SMILESCC1(C)Cc2ccccc2-c2nc(CN3CCOCC3)[nH]c(=O)c21
InChIInChI=1S/C19H23N3O2/c1-19(2)11-13-5-3-4-6-14(13)17-16(19)18(23)21-15(20-17)12-22-7-9-24-10-8-22/h3-6H,7-12H2,1-2H3,(H,20,21,23)
InChIKeyVEFMATUQEGFNPY-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.10
Rot. Bonds2

About 5,5-dimethyl-2-(morpholin-4-ylmethyl)-3,6-dihydrobenzo[h]quinazolin-4-one

5,5-dimethyl-2-(morpholin-4-ylmethyl)-3,6-dihydrobenzo[h]quinazolin-4-one (PubChem CID 135465168) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 5,5-dimethyl-2-(morpholin-4-ylmethyl)-3,6-dihydrobenzo[h]quinazolin-4-one.

Molecular Properties

Compound Name5,5-dimethyl-2-(morpholin-4-ylmethyl)-3,6-dihydrobenzo[h]quinazolin-4-one
PubChem CID135465168
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name5,5-dimethyl-2-(morpholin-4-ylmethyl)-3,6-dihydrobenzo[h]quinazolin-4-one
SMILESCC1(C)Cc2ccccc2-c2nc(CN3CCOCC3)[nH]c(=O)c21
InChIInChI=1S/C19H23N3O2/c1-19(2)11-13-5-3-4-6-14(13)17-16(19)18(23)21-15(20-17)12-22-7-9-24-10-8-22/h3-6H,7-12H2,1-2H3,(H,20,21,23)
InChIKeyVEFMATUQEGFNPY-UHFFFAOYSA-N
XLogP2.10
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5,5-dimethyl-2-(morpholin-4-ylmethyl)-3,6-dihydrobenzo[h]quinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-(morpholin-4-ylmethyl)-3,6-dihydrobenzo[h]quinazolin-4-one?
The IUPAC name of 5,5-dimethyl-2-(morpholin-4-ylmethyl)-3,6-dihydrobenzo[h]quinazolin-4-one (CID 135465168) is 5,5-dimethyl-2-(morpholin-4-ylmethyl)-3,6-dihydrobenzo[h]quinazolin-4-one.
What is the SMILES notation for 5,5-dimethyl-2-(morpholin-4-ylmethyl)-3,6-dihydrobenzo[h]quinazolin-4-one?
The canonical SMILES for 5,5-dimethyl-2-(morpholin-4-ylmethyl)-3,6-dihydrobenzo[h]quinazolin-4-one is CC1(C)Cc2ccccc2-c2nc(CN3CCOCC3)[nH]c(=O)c21.
What is the InChIKey of 5,5-dimethyl-2-(morpholin-4-ylmethyl)-3,6-dihydrobenzo[h]quinazolin-4-one?
The InChIKey is VEFMATUQEGFNPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-19(2)11-13-5-3-4-6-14(13)17-16(19)18(23)21-15(20-17)12-22-7-9-24-10-8-22/h3-6H,7-12H2,1-2H3,(H,20,21,23).
What are the key properties of 5,5-dimethyl-2-(morpholin-4-ylmethyl)-3,6-dihydrobenzo[h]quinazolin-4-one?
5,5-dimethyl-2-(morpholin-4-ylmethyl)-3,6-dihydrobenzo[h]quinazolin-4-one has a molecular weight of 325.41 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-(morpholin-4-ylmethyl)-3,6-dihydrobenzo[h]quinazolin-4-one is sourced from PubChem (CID 135465168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).