8-methyl-1,2,3,4,6,7,8,9-octahydropyrido[2,1-b]quinazolin-11-one

C13H18N2O — CID 13081391

IUPAC8-methyl-1,2,3,4,6,7,8,9-octahydropyrido[2,1-b]quinazolin-11-one
SMILESCC1CCc2nc3c(c(=O)n2C1)CCCC3
InChIInChI=1S/C13H18N2O/c1-9-6-7-12-14-11-5-3-2-4-10(11)13(16)15(12)8-9/h9H,2-8H2,1H3
InChIKeyQYDQDJCFRRWDJV-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.70
Rot. Bonds

About 8-methyl-1,2,3,4,6,7,8,9-octahydropyrido[2,1-b]quinazolin-11-one

8-methyl-1,2,3,4,6,7,8,9-octahydropyrido[2,1-b]quinazolin-11-one (PubChem CID 13081391) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 8-methyl-1,2,3,4,6,7,8,9-octahydropyrido[2,1-b]quinazolin-11-one.

Molecular Properties

Compound Name8-methyl-1,2,3,4,6,7,8,9-octahydropyrido[2,1-b]quinazolin-11-one
PubChem CID13081391
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name8-methyl-1,2,3,4,6,7,8,9-octahydropyrido[2,1-b]quinazolin-11-one
SMILESCC1CCc2nc3c(c(=O)n2C1)CCCC3
InChIInChI=1S/C13H18N2O/c1-9-6-7-12-14-11-5-3-2-4-10(11)13(16)15(12)8-9/h9H,2-8H2,1H3
InChIKeyQYDQDJCFRRWDJV-UHFFFAOYSA-N
XLogP1.70
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-1,2,3,4,6,7,8,9-octahydropyrido[2,1-b]quinazolin-11-one?
The IUPAC name of 8-methyl-1,2,3,4,6,7,8,9-octahydropyrido[2,1-b]quinazolin-11-one (CID 13081391) is 8-methyl-1,2,3,4,6,7,8,9-octahydropyrido[2,1-b]quinazolin-11-one.
What is the SMILES notation for 8-methyl-1,2,3,4,6,7,8,9-octahydropyrido[2,1-b]quinazolin-11-one?
The canonical SMILES for 8-methyl-1,2,3,4,6,7,8,9-octahydropyrido[2,1-b]quinazolin-11-one is CC1CCc2nc3c(c(=O)n2C1)CCCC3.
What is the InChIKey of 8-methyl-1,2,3,4,6,7,8,9-octahydropyrido[2,1-b]quinazolin-11-one?
The InChIKey is QYDQDJCFRRWDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-9-6-7-12-14-11-5-3-2-4-10(11)13(16)15(12)8-9/h9H,2-8H2,1H3.
What are the key properties of 8-methyl-1,2,3,4,6,7,8,9-octahydropyrido[2,1-b]quinazolin-11-one?
8-methyl-1,2,3,4,6,7,8,9-octahydropyrido[2,1-b]quinazolin-11-one has a molecular weight of 218.30 g/mol, XLogP of 1.70, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-1,2,3,4,6,7,8,9-octahydropyrido[2,1-b]quinazolin-11-one is sourced from PubChem (CID 13081391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).