9-methyl-1,2,3,4-tetrahydropyrido[2,1-b]quinazolin-11-one

C13H14N2O — CID 523988

IUPAC9-methyl-1,2,3,4-tetrahydropyrido[2,1-b]quinazolin-11-one
SMILESCc1cccc2nc3c(c(=O)n12)CCCC3
InChIInChI=1S/C13H14N2O/c1-9-5-4-8-12-14-11-7-3-2-6-10(11)13(16)15(9)12/h4-5,8H,2-3,6-7H2,1H3
InChIKeyVFPWMBLVVYEHQO-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.88
Rot. Bonds

About 9-methyl-1,2,3,4-tetrahydropyrido[2,1-b]quinazolin-11-one

9-methyl-1,2,3,4-tetrahydropyrido[2,1-b]quinazolin-11-one (PubChem CID 523988) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 9-methyl-1,2,3,4-tetrahydropyrido[2,1-b]quinazolin-11-one.

Molecular Properties

Compound Name9-methyl-1,2,3,4-tetrahydropyrido[2,1-b]quinazolin-11-one
PubChem CID523988
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name9-methyl-1,2,3,4-tetrahydropyrido[2,1-b]quinazolin-11-one
SMILESCc1cccc2nc3c(c(=O)n12)CCCC3
InChIInChI=1S/C13H14N2O/c1-9-5-4-8-12-14-11-7-3-2-6-10(11)13(16)15(9)12/h4-5,8H,2-3,6-7H2,1H3
InChIKeyVFPWMBLVVYEHQO-UHFFFAOYSA-N
XLogP1.88
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-1,2,3,4-tetrahydropyrido[2,1-b]quinazolin-11-one?
The IUPAC name of 9-methyl-1,2,3,4-tetrahydropyrido[2,1-b]quinazolin-11-one (CID 523988) is 9-methyl-1,2,3,4-tetrahydropyrido[2,1-b]quinazolin-11-one.
What is the SMILES notation for 9-methyl-1,2,3,4-tetrahydropyrido[2,1-b]quinazolin-11-one?
The canonical SMILES for 9-methyl-1,2,3,4-tetrahydropyrido[2,1-b]quinazolin-11-one is Cc1cccc2nc3c(c(=O)n12)CCCC3.
What is the InChIKey of 9-methyl-1,2,3,4-tetrahydropyrido[2,1-b]quinazolin-11-one?
The InChIKey is VFPWMBLVVYEHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-9-5-4-8-12-14-11-7-3-2-6-10(11)13(16)15(9)12/h4-5,8H,2-3,6-7H2,1H3.
What are the key properties of 9-methyl-1,2,3,4-tetrahydropyrido[2,1-b]quinazolin-11-one?
9-methyl-1,2,3,4-tetrahydropyrido[2,1-b]quinazolin-11-one has a molecular weight of 214.27 g/mol, XLogP of 1.88, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-1,2,3,4-tetrahydropyrido[2,1-b]quinazolin-11-one is sourced from PubChem (CID 523988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).