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

C22H25FN4O2 — CID 66839585

IUPAC9-[1-(4-fluoro-2-methylanilino)ethyl]-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cc(C(C)Nc2ccc(F)cc2C)c2nc(N3CCOCC3)cc(=O)n2c1
InChIInChI=1S/C22H25FN4O2/c1-14-10-18(16(3)24-19-5-4-17(23)11-15(19)2)22-25-20(12-21(28)27(22)13-14)26-6-8-29-9-7-26/h4-5,10-13,16,24H,6-9H2,1-3H3
InChIKeyVOLSGVNZDFBYNG-UHFFFAOYSA-N
MW396.47 g/mol
LogP3.46
Rot. Bonds4

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

9-[1-(4-fluoro-2-methylanilino)ethyl]-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 66839585) has the molecular formula C22H25FN4O2 and a molecular weight of 396.47 g/mol. Its IUPAC name is 9-[1-(4-fluoro-2-methylanilino)ethyl]-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-[1-(4-fluoro-2-methylanilino)ethyl]-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
PubChem CID66839585
Molecular FormulaC22H25FN4O2
Molecular Weight396.47 g/mol
Exact Mass396.20
IUPAC Name9-[1-(4-fluoro-2-methylanilino)ethyl]-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cc(C(C)Nc2ccc(F)cc2C)c2nc(N3CCOCC3)cc(=O)n2c1
InChIInChI=1S/C22H25FN4O2/c1-14-10-18(16(3)24-19-5-4-17(23)11-15(19)2)22-25-20(12-21(28)27(22)13-14)26-6-8-29-9-7-26/h4-5,10-13,16,24H,6-9H2,1-3H3
InChIKeyVOLSGVNZDFBYNG-UHFFFAOYSA-N
XLogP3.46
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-[1-(4-fluoro-2-methylanilino)ethyl]-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-[1-(4-fluoro-2-methylanilino)ethyl]-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one (CID 66839585) is 9-[1-(4-fluoro-2-methylanilino)ethyl]-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-[1-(4-fluoro-2-methylanilino)ethyl]-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-[1-(4-fluoro-2-methylanilino)ethyl]-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one is Cc1cc(C(C)Nc2ccc(F)cc2C)c2nc(N3CCOCC3)cc(=O)n2c1.
What is the InChIKey of 9-[1-(4-fluoro-2-methylanilino)ethyl]-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is VOLSGVNZDFBYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O2/c1-14-10-18(16(3)24-19-5-4-17(23)11-15(19)2)22-25-20(12-21(28)27(22)13-14)26-6-8-29-9-7-26/h4-5,10-13,16,24H,6-9H2,1-3H3.
What are the key properties of 9-[1-(4-fluoro-2-methylanilino)ethyl]-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one?
9-[1-(4-fluoro-2-methylanilino)ethyl]-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 396.47 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[1-(4-fluoro-2-methylanilino)ethyl]-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 66839585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).