9-[(4-methoxyanilino)methyl]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one

C20H22N4O3 — CID 122179696

IUPAC9-[(4-methoxyanilino)methyl]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
SMILESCOc1ccc(NCc2cccn3c(=O)cc(N4CCOCC4)nc23)cc1
InChIInChI=1S/C20H22N4O3/c1-26-17-6-4-16(5-7-17)21-14-15-3-2-8-24-19(25)13-18(22-20(15)24)23-9-11-27-12-10-23/h2-8,13,21H,9-12,14H2,1H3
InChIKeySHXQZDNABNYGBX-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.15
Rot. Bonds5

About 9-[(4-methoxyanilino)methyl]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one

9-[(4-methoxyanilino)methyl]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 122179696) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 9-[(4-methoxyanilino)methyl]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-[(4-methoxyanilino)methyl]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
PubChem CID122179696
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name9-[(4-methoxyanilino)methyl]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
SMILESCOc1ccc(NCc2cccn3c(=O)cc(N4CCOCC4)nc23)cc1
InChIInChI=1S/C20H22N4O3/c1-26-17-6-4-16(5-7-17)21-14-15-3-2-8-24-19(25)13-18(22-20(15)24)23-9-11-27-12-10-23/h2-8,13,21H,9-12,14H2,1H3
InChIKeySHXQZDNABNYGBX-UHFFFAOYSA-N
XLogP2.15
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-[(4-methoxyanilino)methyl]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-[(4-methoxyanilino)methyl]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one (CID 122179696) is 9-[(4-methoxyanilino)methyl]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-[(4-methoxyanilino)methyl]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-[(4-methoxyanilino)methyl]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one is COc1ccc(NCc2cccn3c(=O)cc(N4CCOCC4)nc23)cc1.
What is the InChIKey of 9-[(4-methoxyanilino)methyl]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is SHXQZDNABNYGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-26-17-6-4-16(5-7-17)21-14-15-3-2-8-24-19(25)13-18(22-20(15)24)23-9-11-27-12-10-23/h2-8,13,21H,9-12,14H2,1H3.
What are the key properties of 9-[(4-methoxyanilino)methyl]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one?
9-[(4-methoxyanilino)methyl]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 366.42 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(4-methoxyanilino)methyl]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 122179696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).