2,3,4,4a,5,5a,6,8-octahydro-1H-pyrido[2,3-g]quinazolin-7-one

C11H15N3O — CID 70481775

IUPAC2,3,4,4a,5,5a,6,8-octahydro-1H-pyrido[2,3-g]quinazolin-7-one
SMILESO=C1CC=C2C=C3NCNCC3CC2N1
InChIInChI=1S/C11H15N3O/c15-11-2-1-7-3-9-8(4-10(7)14-11)5-12-6-13-9/h1,3,8,10,12-13H,2,4-6H2,(H,14,15)
InChIKeyZXHJDCAGPPNONN-UHFFFAOYSA-N
MW205.26 g/mol
LogP-0.14
Rot. Bonds

About 2,3,4,4a,5,5a,6,8-octahydro-1H-pyrido[2,3-g]quinazolin-7-one

2,3,4,4a,5,5a,6,8-octahydro-1H-pyrido[2,3-g]quinazolin-7-one (PubChem CID 70481775) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 2,3,4,4a,5,5a,6,8-octahydro-1H-pyrido[2,3-g]quinazolin-7-one.

Molecular Properties

Compound Name2,3,4,4a,5,5a,6,8-octahydro-1H-pyrido[2,3-g]quinazolin-7-one
PubChem CID70481775
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name2,3,4,4a,5,5a,6,8-octahydro-1H-pyrido[2,3-g]quinazolin-7-one
SMILESO=C1CC=C2C=C3NCNCC3CC2N1
InChIInChI=1S/C11H15N3O/c15-11-2-1-7-3-9-8(4-10(7)14-11)5-12-6-13-9/h1,3,8,10,12-13H,2,4-6H2,(H,14,15)
InChIKeyZXHJDCAGPPNONN-UHFFFAOYSA-N
XLogP-0.14
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2,3,4,4a,5,5a,6,8-octahydro-1H-pyrido[2,3-g]quinazolin-7-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,4a,5,5a,6,8-octahydro-1H-pyrido[2,3-g]quinazolin-7-one?
The IUPAC name of 2,3,4,4a,5,5a,6,8-octahydro-1H-pyrido[2,3-g]quinazolin-7-one (CID 70481775) is 2,3,4,4a,5,5a,6,8-octahydro-1H-pyrido[2,3-g]quinazolin-7-one.
What is the SMILES notation for 2,3,4,4a,5,5a,6,8-octahydro-1H-pyrido[2,3-g]quinazolin-7-one?
The canonical SMILES for 2,3,4,4a,5,5a,6,8-octahydro-1H-pyrido[2,3-g]quinazolin-7-one is O=C1CC=C2C=C3NCNCC3CC2N1.
What is the InChIKey of 2,3,4,4a,5,5a,6,8-octahydro-1H-pyrido[2,3-g]quinazolin-7-one?
The InChIKey is ZXHJDCAGPPNONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c15-11-2-1-7-3-9-8(4-10(7)14-11)5-12-6-13-9/h1,3,8,10,12-13H,2,4-6H2,(H,14,15).
What are the key properties of 2,3,4,4a,5,5a,6,8-octahydro-1H-pyrido[2,3-g]quinazolin-7-one?
2,3,4,4a,5,5a,6,8-octahydro-1H-pyrido[2,3-g]quinazolin-7-one has a molecular weight of 205.26 g/mol, XLogP of -0.14, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,4a,5,5a,6,8-octahydro-1H-pyrido[2,3-g]quinazolin-7-one is sourced from PubChem (CID 70481775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).