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

C19H19ClN4O2 — CID 122179695

IUPAC9-[(4-chloroanilino)methyl]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(N2CCOCC2)nc2c(CNc3ccc(Cl)cc3)cccn12
InChIInChI=1S/C19H19ClN4O2/c20-15-3-5-16(6-4-15)21-13-14-2-1-7-24-18(25)12-17(22-19(14)24)23-8-10-26-11-9-23/h1-7,12,21H,8-11,13H2
InChIKeySPVBRZLKSLIIRB-UHFFFAOYSA-N
MW370.84 g/mol
LogP2.80
Rot. Bonds4

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

9-[(4-chloroanilino)methyl]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 122179695) has the molecular formula C19H19ClN4O2 and a molecular weight of 370.84 g/mol. Its IUPAC name is 9-[(4-chloroanilino)methyl]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-[(4-chloroanilino)methyl]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
PubChem CID122179695
Molecular FormulaC19H19ClN4O2
Molecular Weight370.84 g/mol
Exact Mass370.12
IUPAC Name9-[(4-chloroanilino)methyl]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(N2CCOCC2)nc2c(CNc3ccc(Cl)cc3)cccn12
InChIInChI=1S/C19H19ClN4O2/c20-15-3-5-16(6-4-15)21-13-14-2-1-7-24-18(25)12-17(22-19(14)24)23-8-10-26-11-9-23/h1-7,12,21H,8-11,13H2
InChIKeySPVBRZLKSLIIRB-UHFFFAOYSA-N
XLogP2.80
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-[(4-chloroanilino)methyl]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-[(4-chloroanilino)methyl]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one (CID 122179695) is 9-[(4-chloroanilino)methyl]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-[(4-chloroanilino)methyl]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-[(4-chloroanilino)methyl]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one is O=c1cc(N2CCOCC2)nc2c(CNc3ccc(Cl)cc3)cccn12.
What is the InChIKey of 9-[(4-chloroanilino)methyl]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is SPVBRZLKSLIIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O2/c20-15-3-5-16(6-4-15)21-13-14-2-1-7-24-18(25)12-17(22-19(14)24)23-8-10-26-11-9-23/h1-7,12,21H,8-11,13H2.
What are the key properties of 9-[(4-chloroanilino)methyl]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one?
9-[(4-chloroanilino)methyl]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 370.84 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(4-chloroanilino)methyl]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 122179695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).