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

C20H22N4O2 — CID 122179693

IUPAC9-[(3-methylanilino)methyl]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccc(NCc2cccn3c(=O)cc(N4CCOCC4)nc23)c1
InChIInChI=1S/C20H22N4O2/c1-15-4-2-6-17(12-15)21-14-16-5-3-7-24-19(25)13-18(22-20(16)24)23-8-10-26-11-9-23/h2-7,12-13,21H,8-11,14H2,1H3
InChIKeyNBQRQVIRXMQIKP-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.45
Rot. Bonds4

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

9-[(3-methylanilino)methyl]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 122179693) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 9-[(3-methylanilino)methyl]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-[(3-methylanilino)methyl]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
PubChem CID122179693
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name9-[(3-methylanilino)methyl]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccc(NCc2cccn3c(=O)cc(N4CCOCC4)nc23)c1
InChIInChI=1S/C20H22N4O2/c1-15-4-2-6-17(12-15)21-14-16-5-3-7-24-19(25)13-18(22-20(16)24)23-8-10-26-11-9-23/h2-7,12-13,21H,8-11,14H2,1H3
InChIKeyNBQRQVIRXMQIKP-UHFFFAOYSA-N
XLogP2.45
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-[(3-methylanilino)methyl]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-[(3-methylanilino)methyl]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one (CID 122179693) is 9-[(3-methylanilino)methyl]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-[(3-methylanilino)methyl]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-[(3-methylanilino)methyl]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one is Cc1cccc(NCc2cccn3c(=O)cc(N4CCOCC4)nc23)c1.
What is the InChIKey of 9-[(3-methylanilino)methyl]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is NBQRQVIRXMQIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-15-4-2-6-17(12-15)21-14-16-5-3-7-24-19(25)13-18(22-20(16)24)23-8-10-26-11-9-23/h2-7,12-13,21H,8-11,14H2,1H3.
What are the key properties of 9-[(3-methylanilino)methyl]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one?
9-[(3-methylanilino)methyl]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 350.42 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(3-methylanilino)methyl]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 122179693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).