2-(2-ethyl-3-methyl-2,3-dihydroquinolin-6-yl)-9-methyl-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one

C25H29N5O — CID 123589024

IUPAC2-(2-ethyl-3-methyl-2,3-dihydroquinolin-6-yl)-9-methyl-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one
SMILESCCC1N=c2ccc(-c3cc(=O)n4cc(N5CCNCC5)cc(C)c4n3)cc2=CC1C
InChIInChI=1S/C25H29N5O/c1-4-21-16(2)11-19-13-18(5-6-22(19)27-21)23-14-24(31)30-15-20(12-17(3)25(30)28-23)29-9-7-26-8-10-29/h5-6,11-16,21,26H,4,7-10H2,1-3H3
InChIKeyQAUMHOAQUPUFQY-UHFFFAOYSA-N
MW415.54 g/mol
LogP1.91
Rot. Bonds3

About 2-(2-ethyl-3-methyl-2,3-dihydroquinolin-6-yl)-9-methyl-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one

2-(2-ethyl-3-methyl-2,3-dihydroquinolin-6-yl)-9-methyl-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 123589024) has the molecular formula C25H29N5O and a molecular weight of 415.54 g/mol. Its IUPAC name is 2-(2-ethyl-3-methyl-2,3-dihydroquinolin-6-yl)-9-methyl-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(2-ethyl-3-methyl-2,3-dihydroquinolin-6-yl)-9-methyl-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one
PubChem CID123589024
Molecular FormulaC25H29N5O
Molecular Weight415.54 g/mol
Exact Mass415.24
IUPAC Name2-(2-ethyl-3-methyl-2,3-dihydroquinolin-6-yl)-9-methyl-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one
SMILESCCC1N=c2ccc(-c3cc(=O)n4cc(N5CCNCC5)cc(C)c4n3)cc2=CC1C
InChIInChI=1S/C25H29N5O/c1-4-21-16(2)11-19-13-18(5-6-22(19)27-21)23-14-24(31)30-15-20(12-17(3)25(30)28-23)29-9-7-26-8-10-29/h5-6,11-16,21,26H,4,7-10H2,1-3H3
InChIKeyQAUMHOAQUPUFQY-UHFFFAOYSA-N
XLogP1.91
TPSA62.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-3-methyl-2,3-dihydroquinolin-6-yl)-9-methyl-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(2-ethyl-3-methyl-2,3-dihydroquinolin-6-yl)-9-methyl-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one (CID 123589024) is 2-(2-ethyl-3-methyl-2,3-dihydroquinolin-6-yl)-9-methyl-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-(2-ethyl-3-methyl-2,3-dihydroquinolin-6-yl)-9-methyl-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(2-ethyl-3-methyl-2,3-dihydroquinolin-6-yl)-9-methyl-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one is CCC1N=c2ccc(-c3cc(=O)n4cc(N5CCNCC5)cc(C)c4n3)cc2=CC1C.
What is the InChIKey of 2-(2-ethyl-3-methyl-2,3-dihydroquinolin-6-yl)-9-methyl-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is QAUMHOAQUPUFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O/c1-4-21-16(2)11-19-13-18(5-6-22(19)27-21)23-14-24(31)30-15-20(12-17(3)25(30)28-23)29-9-7-26-8-10-29/h5-6,11-16,21,26H,4,7-10H2,1-3H3.
What are the key properties of 2-(2-ethyl-3-methyl-2,3-dihydroquinolin-6-yl)-9-methyl-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one?
2-(2-ethyl-3-methyl-2,3-dihydroquinolin-6-yl)-9-methyl-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 415.54 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-3-methyl-2,3-dihydroquinolin-6-yl)-9-methyl-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 123589024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).