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

C13H18N2O — CID 6427452

IUPAC4-methyl-1,2,3,4,6,7,8,9-octahydropyrido[2,1-b]quinazolin-11-one
SMILESCC1CCCc2c1nc1n(c2=O)CCCC1
InChIInChI=1S/C13H18N2O/c1-9-5-4-6-10-12(9)14-11-7-2-3-8-15(11)13(10)16/h9H,2-8H2,1H3
InChIKeyWYULMVGNAVLFTQ-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.02
Rot. Bonds

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

4-methyl-1,2,3,4,6,7,8,9-octahydropyrido[2,1-b]quinazolin-11-one (PubChem CID 6427452) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 4-methyl-1,2,3,4,6,7,8,9-octahydropyrido[2,1-b]quinazolin-11-one.

Molecular Properties

Compound Name4-methyl-1,2,3,4,6,7,8,9-octahydropyrido[2,1-b]quinazolin-11-one
PubChem CID6427452
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name4-methyl-1,2,3,4,6,7,8,9-octahydropyrido[2,1-b]quinazolin-11-one
SMILESCC1CCCc2c1nc1n(c2=O)CCCC1
InChIInChI=1S/C13H18N2O/c1-9-5-4-6-10-12(9)14-11-7-2-3-8-15(11)13(10)16/h9H,2-8H2,1H3
InChIKeyWYULMVGNAVLFTQ-UHFFFAOYSA-N
XLogP2.02
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 ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,2,3,4,6,7,8,9-octahydropyrido[2,1-b]quinazolin-11-one?
The IUPAC name of 4-methyl-1,2,3,4,6,7,8,9-octahydropyrido[2,1-b]quinazolin-11-one (CID 6427452) is 4-methyl-1,2,3,4,6,7,8,9-octahydropyrido[2,1-b]quinazolin-11-one.
What is the SMILES notation for 4-methyl-1,2,3,4,6,7,8,9-octahydropyrido[2,1-b]quinazolin-11-one?
The canonical SMILES for 4-methyl-1,2,3,4,6,7,8,9-octahydropyrido[2,1-b]quinazolin-11-one is CC1CCCc2c1nc1n(c2=O)CCCC1.
What is the InChIKey of 4-methyl-1,2,3,4,6,7,8,9-octahydropyrido[2,1-b]quinazolin-11-one?
The InChIKey is WYULMVGNAVLFTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-9-5-4-6-10-12(9)14-11-7-2-3-8-15(11)13(10)16/h9H,2-8H2,1H3.
What are the key properties of 4-methyl-1,2,3,4,6,7,8,9-octahydropyrido[2,1-b]quinazolin-11-one?
4-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 2.02, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,2,3,4,6,7,8,9-octahydropyrido[2,1-b]quinazolin-11-one is sourced from PubChem (CID 6427452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).