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

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

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Related Compounds

ethyl 1-(4,8-dimethylquinolin-2-yl)-5-[(4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carbonyl)amino]pyrazole-4-carboxylate
CID 108801056
1-adamantyl-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]methanone
CID 108731208
2-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]acetic acid
CID 82166224
3-bromo-1-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]propan-1-one
CID 108731281
(3,4-difluorophenyl)-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]methanone
CID 108731295
4,8-dimethyl-2-piperidin-1-ylquinoline;2,2,2-trifluoroacetic acid
CID 46891914
(3,4-dichlorophenyl)-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]methanone
CID 108754708
[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]-(4-nitrophenyl)methanone
CID 108754718
methyl 4-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]-4-oxobutanoate
CID 108731300
1-(3,4-dimethylphenyl)-4-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]butane-1,4-dione
CID 108731269
[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]-(3-phenoxyphenyl)methanone
CID 108731152
[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]-pyrazin-2-ylmethanone
CID 108731282

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).