1,2,3,6,7,8,9-heptamethylquinolizin-4-one;1,3,6,7,8,9-hexamethylpyrido[1,2-a]pyrazin-4-one;2,3,4,7,8,9-hexamethylpyrido[1,2-a]pyrimidin-6-one

C44H57N5O3 — CID 157188231

IUPAC1,2,3,6,7,8,9-heptamethylquinolizin-4-one;1,3,6,7,8,9-hexamethylpyrido[1,2-a]pyrazin-4-one;2,3,4,7,8,9-hexamethylpyrido[1,2-a]pyrimidin-6-one
SMILESCc1c(C)c(C)n2c(=O)c(C)c(C)c(C)c2c1C.Cc1c(C)c(C)n2c(=O)c(C)nc(C)c2c1C.Cc1nc2c(C)c(C)c(C)c(=O)n2c(C)c1C
InChIInChI=1S/C16H21NO.2C14H18N2O/c1-8-10(3)14(7)17-15(11(8)4)12(5)9(2)13(6)16(17)18;1-7-8(2)12(6)16-13(9(7)3)10(4)15-11(5)14(16)17;1-7-8(2)13-15-11(5)10(4)12(6)16(13)14(17)9(7)3/h1-7H3;2*1-6H3
InChIKeyAPJMZHULTZNQBE-UHFFFAOYSA-N
MW703.97 g/mol
LogP8.55
Rot. Bonds

About 1,2,3,6,7,8,9-heptamethylquinolizin-4-one;1,3,6,7,8,9-hexamethylpyrido[1,2-a]pyrazin-4-one;2,3,4,7,8,9-hexamethylpyrido[1,2-a]pyrimidin-6-one

1,2,3,6,7,8,9-heptamethylquinolizin-4-one;1,3,6,7,8,9-hexamethylpyrido[1,2-a]pyrazin-4-one;2,3,4,7,8,9-hexamethylpyrido[1,2-a]pyrimidin-6-one (PubChem CID 157188231) has the molecular formula C44H57N5O3 and a molecular weight of 703.97 g/mol. Its IUPAC name is 1,2,3,6,7,8,9-heptamethylquinolizin-4-one;1,3,6,7,8,9-hexamethylpyrido[1,2-a]pyrazin-4-one;2,3,4,7,8,9-hexamethylpyrido[1,2-a]pyrimidin-6-one.

Molecular Properties

Compound Name1,2,3,6,7,8,9-heptamethylquinolizin-4-one;1,3,6,7,8,9-hexamethylpyrido[1,2-a]pyrazin-4-one;2,3,4,7,8,9-hexamethylpyrido[1,2-a]pyrimidin-6-one
PubChem CID157188231
Molecular FormulaC44H57N5O3
Molecular Weight703.97 g/mol
Exact Mass703.45
IUPAC Name1,2,3,6,7,8,9-heptamethylquinolizin-4-one;1,3,6,7,8,9-hexamethylpyrido[1,2-a]pyrazin-4-one;2,3,4,7,8,9-hexamethylpyrido[1,2-a]pyrimidin-6-one
SMILESCc1c(C)c(C)n2c(=O)c(C)c(C)c(C)c2c1C.Cc1c(C)c(C)n2c(=O)c(C)nc(C)c2c1C.Cc1nc2c(C)c(C)c(C)c(=O)n2c(C)c1C
InChIInChI=1S/C16H21NO.2C14H18N2O/c1-8-10(3)14(7)17-15(11(8)4)12(5)9(2)13(6)16(17)18;1-7-8(2)12(6)16-13(9(7)3)10(4)15-11(5)14(16)17;1-7-8(2)13-15-11(5)10(4)12(6)16(13)14(17)9(7)3/h1-7H3;2*1-6H3
InChIKeyAPJMZHULTZNQBE-UHFFFAOYSA-N
XLogP8.55
TPSA90.22 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.97
LogP ≤ 58.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1,2,3,6,7,8,9-heptamethylquinolizin-4-one;1,3,6,7,8,9-hexamethylpyrido[1,2-a]pyrazin-4-one;2,3,4,7,8,9-hexamethylpyrido[1,2-a]pyrimidin-6-one with MolForge

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Related Compounds

2,3,4,7,8,9-Hexamethylpyrido[1,2-a]pyrimidin-6-one
CID 20583152

Frequently Asked Questions

What is the IUPAC name of 1,2,3,6,7,8,9-heptamethylquinolizin-4-one;1,3,6,7,8,9-hexamethylpyrido[1,2-a]pyrazin-4-one;2,3,4,7,8,9-hexamethylpyrido[1,2-a]pyrimidin-6-one?
The IUPAC name of 1,2,3,6,7,8,9-heptamethylquinolizin-4-one;1,3,6,7,8,9-hexamethylpyrido[1,2-a]pyrazin-4-one;2,3,4,7,8,9-hexamethylpyrido[1,2-a]pyrimidin-6-one (CID 157188231) is 1,2,3,6,7,8,9-heptamethylquinolizin-4-one;1,3,6,7,8,9-hexamethylpyrido[1,2-a]pyrazin-4-one;2,3,4,7,8,9-hexamethylpyrido[1,2-a]pyrimidin-6-one.
What is the SMILES notation for 1,2,3,6,7,8,9-heptamethylquinolizin-4-one;1,3,6,7,8,9-hexamethylpyrido[1,2-a]pyrazin-4-one;2,3,4,7,8,9-hexamethylpyrido[1,2-a]pyrimidin-6-one?
The canonical SMILES for 1,2,3,6,7,8,9-heptamethylquinolizin-4-one;1,3,6,7,8,9-hexamethylpyrido[1,2-a]pyrazin-4-one;2,3,4,7,8,9-hexamethylpyrido[1,2-a]pyrimidin-6-one is Cc1c(C)c(C)n2c(=O)c(C)c(C)c(C)c2c1C.Cc1c(C)c(C)n2c(=O)c(C)nc(C)c2c1C.Cc1nc2c(C)c(C)c(C)c(=O)n2c(C)c1C.
What is the InChIKey of 1,2,3,6,7,8,9-heptamethylquinolizin-4-one;1,3,6,7,8,9-hexamethylpyrido[1,2-a]pyrazin-4-one;2,3,4,7,8,9-hexamethylpyrido[1,2-a]pyrimidin-6-one?
The InChIKey is APJMZHULTZNQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO.2C14H18N2O/c1-8-10(3)14(7)17-15(11(8)4)12(5)9(2)13(6)16(17)18;1-7-8(2)12(6)16-13(9(7)3)10(4)15-11(5)14(16)17;1-7-8(2)13-15-11(5)10(4)12(6)16(13)14(17)9(7)3/h1-7H3;2*1-6H3.
What are the key properties of 1,2,3,6,7,8,9-heptamethylquinolizin-4-one;1,3,6,7,8,9-hexamethylpyrido[1,2-a]pyrazin-4-one;2,3,4,7,8,9-hexamethylpyrido[1,2-a]pyrimidin-6-one?
1,2,3,6,7,8,9-heptamethylquinolizin-4-one;1,3,6,7,8,9-hexamethylpyrido[1,2-a]pyrazin-4-one;2,3,4,7,8,9-hexamethylpyrido[1,2-a]pyrimidin-6-one has a molecular weight of 703.97 g/mol, XLogP of 8.55, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,6,7,8,9-heptamethylquinolizin-4-one;1,3,6,7,8,9-hexamethylpyrido[1,2-a]pyrazin-4-one;2,3,4,7,8,9-hexamethylpyrido[1,2-a]pyrimidin-6-one is sourced from PubChem (CID 157188231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).