6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-one

C12H12N2O — CID 523975

IUPAC6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-one
SMILESO=c1c2ccccc2nc2n1CCCC2
InChIInChI=1S/C12H12N2O/c15-12-9-5-1-2-6-10(9)13-11-7-3-4-8-14(11)12/h1-2,5-6H,3-4,7-8H2
InChIKeyLMDWOGWJYVSXEP-UHFFFAOYSA-N
MW200.24 g/mol
LogP1.73
Rot. Bonds

About 6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-one

6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-one (PubChem CID 523975) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-one.

Molecular Properties

Compound Name6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-one
PubChem CID523975
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-one
SMILESO=c1c2ccccc2nc2n1CCCC2
InChIInChI=1S/C12H12N2O/c15-12-9-5-1-2-6-10(9)13-11-7-3-4-8-14(11)12/h1-2,5-6H,3-4,7-8H2
InChIKeyLMDWOGWJYVSXEP-UHFFFAOYSA-N
XLogP1.73
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-one?
The IUPAC name of 6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-one (CID 523975) is 6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-one.
What is the SMILES notation for 6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-one?
The canonical SMILES for 6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-one is O=c1c2ccccc2nc2n1CCCC2.
What is the InChIKey of 6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-one?
The InChIKey is LMDWOGWJYVSXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c15-12-9-5-1-2-6-10(9)13-11-7-3-4-8-14(11)12/h1-2,5-6H,3-4,7-8H2.
What are the key properties of 6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-one?
6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-one has a molecular weight of 200.24 g/mol, XLogP of 1.73, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-one is sourced from PubChem (CID 523975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).