2-(2,3-dimethyl-2,3-dihydroquinolin-6-yl)-9-methyl-7-(3-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one

C25H29N5O — CID 123664921

IUPAC2-(2,3-dimethyl-2,3-dihydroquinolin-6-yl)-9-methyl-7-(3-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cc(N2CCNC(C)C2)cn2c(=O)cc(-c3ccc4c(c3)=CC(C)C(C)N=4)nc12
InChIInChI=1S/C25H29N5O/c1-15-9-20-11-19(5-6-22(20)27-18(15)4)23-12-24(31)30-14-21(10-16(2)25(30)28-23)29-8-7-26-17(3)13-29/h5-6,9-12,14-15,17-18,26H,7-8,13H2,1-4H3
InChIKeyMIFOSWHNRWIYTE-UHFFFAOYSA-N
MW415.54 g/mol
LogP1.91
Rot. Bonds2

About 2-(2,3-dimethyl-2,3-dihydroquinolin-6-yl)-9-methyl-7-(3-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one

2-(2,3-dimethyl-2,3-dihydroquinolin-6-yl)-9-methyl-7-(3-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 123664921) has the molecular formula C25H29N5O and a molecular weight of 415.54 g/mol. Its IUPAC name is 2-(2,3-dimethyl-2,3-dihydroquinolin-6-yl)-9-methyl-7-(3-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(2,3-dimethyl-2,3-dihydroquinolin-6-yl)-9-methyl-7-(3-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID123664921
Molecular FormulaC25H29N5O
Molecular Weight415.54 g/mol
Exact Mass415.24
IUPAC Name2-(2,3-dimethyl-2,3-dihydroquinolin-6-yl)-9-methyl-7-(3-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cc(N2CCNC(C)C2)cn2c(=O)cc(-c3ccc4c(c3)=CC(C)C(C)N=4)nc12
InChIInChI=1S/C25H29N5O/c1-15-9-20-11-19(5-6-22(20)27-18(15)4)23-12-24(31)30-14-21(10-16(2)25(30)28-23)29-8-7-26-17(3)13-29/h5-6,9-12,14-15,17-18,26H,7-8,13H2,1-4H3
InChIKeyMIFOSWHNRWIYTE-UHFFFAOYSA-N
XLogP1.91
TPSA62.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
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-(2,3-dimethyl-2,3-dihydroquinolin-6-yl)-9-methyl-7-(3-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(2,3-dimethyl-2,3-dihydroquinolin-6-yl)-9-methyl-7-(3-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one (CID 123664921) is 2-(2,3-dimethyl-2,3-dihydroquinolin-6-yl)-9-methyl-7-(3-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-(2,3-dimethyl-2,3-dihydroquinolin-6-yl)-9-methyl-7-(3-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(2,3-dimethyl-2,3-dihydroquinolin-6-yl)-9-methyl-7-(3-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one is Cc1cc(N2CCNC(C)C2)cn2c(=O)cc(-c3ccc4c(c3)=CC(C)C(C)N=4)nc12.
What is the InChIKey of 2-(2,3-dimethyl-2,3-dihydroquinolin-6-yl)-9-methyl-7-(3-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is MIFOSWHNRWIYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O/c1-15-9-20-11-19(5-6-22(20)27-18(15)4)23-12-24(31)30-14-21(10-16(2)25(30)28-23)29-8-7-26-17(3)13-29/h5-6,9-12,14-15,17-18,26H,7-8,13H2,1-4H3.
What are the key properties of 2-(2,3-dimethyl-2,3-dihydroquinolin-6-yl)-9-methyl-7-(3-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one?
2-(2,3-dimethyl-2,3-dihydroquinolin-6-yl)-9-methyl-7-(3-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 415.54 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethyl-2,3-dihydroquinolin-6-yl)-9-methyl-7-(3-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 123664921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).