3-methyl-8-piperidin-1-ylsulfonylpyrido[1,2-a]quinazolin-6-one

C18H19N3O3S — CID 5303283

IUPAC3-methyl-8-piperidin-1-ylsulfonylpyrido[1,2-a]quinazolin-6-one
SMILESCc1ccn2c(c1)nc(=O)c1cc(S(=O)(=O)N3CCCCC3)ccc12
InChIInChI=1S/C18H19N3O3S/c1-13-7-10-21-16-6-5-14(12-15(16)18(22)19-17(21)11-13)25(23,24)20-8-3-2-4-9-20/h5-7,10-12H,2-4,8-9H2,1H3
InChIKeyLHXJGGCTOOCKLZ-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.33
Rot. Bonds2

About 3-methyl-8-piperidin-1-ylsulfonylpyrido[1,2-a]quinazolin-6-one

3-methyl-8-piperidin-1-ylsulfonylpyrido[1,2-a]quinazolin-6-one (PubChem CID 5303283) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is 3-methyl-8-piperidin-1-ylsulfonylpyrido[1,2-a]quinazolin-6-one.

Molecular Properties

Compound Name3-methyl-8-piperidin-1-ylsulfonylpyrido[1,2-a]quinazolin-6-one
PubChem CID5303283
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC Name3-methyl-8-piperidin-1-ylsulfonylpyrido[1,2-a]quinazolin-6-one
SMILESCc1ccn2c(c1)nc(=O)c1cc(S(=O)(=O)N3CCCCC3)ccc12
InChIInChI=1S/C18H19N3O3S/c1-13-7-10-21-16-6-5-14(12-15(16)18(22)19-17(21)11-13)25(23,24)20-8-3-2-4-9-20/h5-7,10-12H,2-4,8-9H2,1H3
InChIKeyLHXJGGCTOOCKLZ-UHFFFAOYSA-N
XLogP2.33
TPSA71.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-8-piperidin-1-ylsulfonylpyrido[1,2-a]quinazolin-6-one?
The IUPAC name of 3-methyl-8-piperidin-1-ylsulfonylpyrido[1,2-a]quinazolin-6-one (CID 5303283) is 3-methyl-8-piperidin-1-ylsulfonylpyrido[1,2-a]quinazolin-6-one.
What is the SMILES notation for 3-methyl-8-piperidin-1-ylsulfonylpyrido[1,2-a]quinazolin-6-one?
The canonical SMILES for 3-methyl-8-piperidin-1-ylsulfonylpyrido[1,2-a]quinazolin-6-one is Cc1ccn2c(c1)nc(=O)c1cc(S(=O)(=O)N3CCCCC3)ccc12.
What is the InChIKey of 3-methyl-8-piperidin-1-ylsulfonylpyrido[1,2-a]quinazolin-6-one?
The InChIKey is LHXJGGCTOOCKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-13-7-10-21-16-6-5-14(12-15(16)18(22)19-17(21)11-13)25(23,24)20-8-3-2-4-9-20/h5-7,10-12H,2-4,8-9H2,1H3.
What are the key properties of 3-methyl-8-piperidin-1-ylsulfonylpyrido[1,2-a]quinazolin-6-one?
3-methyl-8-piperidin-1-ylsulfonylpyrido[1,2-a]quinazolin-6-one has a molecular weight of 357.44 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-8-piperidin-1-ylsulfonylpyrido[1,2-a]quinazolin-6-one is sourced from PubChem (CID 5303283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).