8-[(3-chlorophenyl)methoxy]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one

C19H18ClN3O3 — CID 69035466

IUPAC8-[(3-chlorophenyl)methoxy]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(N2CCOCC2)nc2cc(OCc3cccc(Cl)c3)ccn12
InChIInChI=1S/C19H18ClN3O3/c20-15-3-1-2-14(10-15)13-26-16-4-5-23-18(11-16)21-17(12-19(23)24)22-6-8-25-9-7-22/h1-5,10-12H,6-9,13H2
InChIKeyBPYNGBQMWAJEBR-UHFFFAOYSA-N
MW371.82 g/mol
LogP2.76
Rot. Bonds4

About 8-[(3-chlorophenyl)methoxy]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one

8-[(3-chlorophenyl)methoxy]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 69035466) has the molecular formula C19H18ClN3O3 and a molecular weight of 371.82 g/mol. Its IUPAC name is 8-[(3-chlorophenyl)methoxy]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name8-[(3-chlorophenyl)methoxy]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
PubChem CID69035466
Molecular FormulaC19H18ClN3O3
Molecular Weight371.82 g/mol
Exact Mass371.10
IUPAC Name8-[(3-chlorophenyl)methoxy]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(N2CCOCC2)nc2cc(OCc3cccc(Cl)c3)ccn12
InChIInChI=1S/C19H18ClN3O3/c20-15-3-1-2-14(10-15)13-26-16-4-5-23-18(11-16)21-17(12-19(23)24)22-6-8-25-9-7-22/h1-5,10-12H,6-9,13H2
InChIKeyBPYNGBQMWAJEBR-UHFFFAOYSA-N
XLogP2.76
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[(3-chlorophenyl)methoxy]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 8-[(3-chlorophenyl)methoxy]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one (CID 69035466) is 8-[(3-chlorophenyl)methoxy]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 8-[(3-chlorophenyl)methoxy]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 8-[(3-chlorophenyl)methoxy]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one is O=c1cc(N2CCOCC2)nc2cc(OCc3cccc(Cl)c3)ccn12.
What is the InChIKey of 8-[(3-chlorophenyl)methoxy]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is BPYNGBQMWAJEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O3/c20-15-3-1-2-14(10-15)13-26-16-4-5-23-18(11-16)21-17(12-19(23)24)22-6-8-25-9-7-22/h1-5,10-12H,6-9,13H2.
What are the key properties of 8-[(3-chlorophenyl)methoxy]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one?
8-[(3-chlorophenyl)methoxy]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 371.82 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3-chlorophenyl)methoxy]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 69035466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).