7-methyl-9-[1-(3-methylanilino)ethyl]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one

C22H26N4O2 — CID 66839834

IUPAC7-methyl-9-[1-(3-methylanilino)ethyl]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccc(NC(C)c2cc(C)cn3c(=O)cc(N4CCOCC4)nc23)c1
InChIInChI=1S/C22H26N4O2/c1-15-5-4-6-18(11-15)23-17(3)19-12-16(2)14-26-21(27)13-20(24-22(19)26)25-7-9-28-10-8-25/h4-6,11-14,17,23H,7-10H2,1-3H3
InChIKeyYOJDDYOKRDSTDE-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.32
Rot. Bonds4

About 7-methyl-9-[1-(3-methylanilino)ethyl]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one

7-methyl-9-[1-(3-methylanilino)ethyl]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 66839834) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 7-methyl-9-[1-(3-methylanilino)ethyl]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-methyl-9-[1-(3-methylanilino)ethyl]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
PubChem CID66839834
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name7-methyl-9-[1-(3-methylanilino)ethyl]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccc(NC(C)c2cc(C)cn3c(=O)cc(N4CCOCC4)nc23)c1
InChIInChI=1S/C22H26N4O2/c1-15-5-4-6-18(11-15)23-17(3)19-12-16(2)14-26-21(27)13-20(24-22(19)26)25-7-9-28-10-8-25/h4-6,11-14,17,23H,7-10H2,1-3H3
InChIKeyYOJDDYOKRDSTDE-UHFFFAOYSA-N
XLogP3.32
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-methyl-9-[1-(3-methylanilino)ethyl]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-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 7-methyl-9-[1-(3-methylanilino)ethyl]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-methyl-9-[1-(3-methylanilino)ethyl]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one (CID 66839834) is 7-methyl-9-[1-(3-methylanilino)ethyl]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-methyl-9-[1-(3-methylanilino)ethyl]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-methyl-9-[1-(3-methylanilino)ethyl]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one is Cc1cccc(NC(C)c2cc(C)cn3c(=O)cc(N4CCOCC4)nc23)c1.
What is the InChIKey of 7-methyl-9-[1-(3-methylanilino)ethyl]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is YOJDDYOKRDSTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-15-5-4-6-18(11-15)23-17(3)19-12-16(2)14-26-21(27)13-20(24-22(19)26)25-7-9-28-10-8-25/h4-6,11-14,17,23H,7-10H2,1-3H3.
What are the key properties of 7-methyl-9-[1-(3-methylanilino)ethyl]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one?
7-methyl-9-[1-(3-methylanilino)ethyl]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 378.48 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-9-[1-(3-methylanilino)ethyl]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 66839834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).