4-[4-(4,8-dimethylquinolin-2-yl)piperazine-1-carbonyl]-4-methyl-3H-pyrido[1,2-a]pyrimidin-2-one

C25H27N5O2 — CID 108810310

IUPAC4-[4-(4,8-dimethylquinolin-2-yl)piperazine-1-carbonyl]-4-methyl-3H-pyrido[1,2-a]pyrimidin-2-one
SMILESCc1cc(N2CCN(C(=O)C3(C)CC(=O)N=C4C=CC=CN43)CC2)nc2c(C)cccc12
InChIInChI=1S/C25H27N5O2/c1-17-7-6-8-19-18(2)15-21(27-23(17)19)28-11-13-29(14-12-28)24(32)25(3)16-22(31)26-20-9-4-5-10-30(20)25/h4-10,15H,11-14,16H2,1-3H3
InChIKeyZYBNYJMNPOFVSF-UHFFFAOYSA-N
MW429.52 g/mol
LogP2.97
Rot. Bonds2

About 4-[4-(4,8-dimethylquinolin-2-yl)piperazine-1-carbonyl]-4-methyl-3H-pyrido[1,2-a]pyrimidin-2-one

4-[4-(4,8-dimethylquinolin-2-yl)piperazine-1-carbonyl]-4-methyl-3H-pyrido[1,2-a]pyrimidin-2-one (PubChem CID 108810310) has the molecular formula C25H27N5O2 and a molecular weight of 429.52 g/mol. Its IUPAC name is 4-[4-(4,8-dimethylquinolin-2-yl)piperazine-1-carbonyl]-4-methyl-3H-pyrido[1,2-a]pyrimidin-2-one.

Molecular Properties

Compound Name4-[4-(4,8-dimethylquinolin-2-yl)piperazine-1-carbonyl]-4-methyl-3H-pyrido[1,2-a]pyrimidin-2-one
PubChem CID108810310
Molecular FormulaC25H27N5O2
Molecular Weight429.52 g/mol
Exact Mass429.22
IUPAC Name4-[4-(4,8-dimethylquinolin-2-yl)piperazine-1-carbonyl]-4-methyl-3H-pyrido[1,2-a]pyrimidin-2-one
SMILESCc1cc(N2CCN(C(=O)C3(C)CC(=O)N=C4C=CC=CN43)CC2)nc2c(C)cccc12
InChIInChI=1S/C25H27N5O2/c1-17-7-6-8-19-18(2)15-21(27-23(17)19)28-11-13-29(14-12-28)24(32)25(3)16-22(31)26-20-9-4-5-10-30(20)25/h4-10,15H,11-14,16H2,1-3H3
InChIKeyZYBNYJMNPOFVSF-UHFFFAOYSA-N
XLogP2.97
TPSA69.11 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4,8-dimethylquinolin-2-yl)piperazine-1-carbonyl]-4-methyl-3H-pyrido[1,2-a]pyrimidin-2-one?
The IUPAC name of 4-[4-(4,8-dimethylquinolin-2-yl)piperazine-1-carbonyl]-4-methyl-3H-pyrido[1,2-a]pyrimidin-2-one (CID 108810310) is 4-[4-(4,8-dimethylquinolin-2-yl)piperazine-1-carbonyl]-4-methyl-3H-pyrido[1,2-a]pyrimidin-2-one.
What is the SMILES notation for 4-[4-(4,8-dimethylquinolin-2-yl)piperazine-1-carbonyl]-4-methyl-3H-pyrido[1,2-a]pyrimidin-2-one?
The canonical SMILES for 4-[4-(4,8-dimethylquinolin-2-yl)piperazine-1-carbonyl]-4-methyl-3H-pyrido[1,2-a]pyrimidin-2-one is Cc1cc(N2CCN(C(=O)C3(C)CC(=O)N=C4C=CC=CN43)CC2)nc2c(C)cccc12.
What is the InChIKey of 4-[4-(4,8-dimethylquinolin-2-yl)piperazine-1-carbonyl]-4-methyl-3H-pyrido[1,2-a]pyrimidin-2-one?
The InChIKey is ZYBNYJMNPOFVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O2/c1-17-7-6-8-19-18(2)15-21(27-23(17)19)28-11-13-29(14-12-28)24(32)25(3)16-22(31)26-20-9-4-5-10-30(20)25/h4-10,15H,11-14,16H2,1-3H3.
What are the key properties of 4-[4-(4,8-dimethylquinolin-2-yl)piperazine-1-carbonyl]-4-methyl-3H-pyrido[1,2-a]pyrimidin-2-one?
4-[4-(4,8-dimethylquinolin-2-yl)piperazine-1-carbonyl]-4-methyl-3H-pyrido[1,2-a]pyrimidin-2-one has a molecular weight of 429.52 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4,8-dimethylquinolin-2-yl)piperazine-1-carbonyl]-4-methyl-3H-pyrido[1,2-a]pyrimidin-2-one is sourced from PubChem (CID 108810310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).