2,3,6,7,8,9-hexahydro-1H-imidazo[2,1-b]quinazolin-5-one

C10H13N3O — CID 135507764

IUPAC2,3,6,7,8,9-hexahydro-1H-imidazo[2,1-b]quinazolin-5-one
SMILESO=c1c2c(nc3n1CCN3)CCCC2
InChIInChI=1S/C10H13N3O/c14-9-7-3-1-2-4-8(7)12-10-11-5-6-13(9)10/h1-6H2,(H,11,12)
InChIKeyFXFDVNZUIUJUFQ-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.55
Rot. Bonds

About 2,3,6,7,8,9-hexahydro-1H-imidazo[2,1-b]quinazolin-5-one

2,3,6,7,8,9-hexahydro-1H-imidazo[2,1-b]quinazolin-5-one (PubChem CID 135507764) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 2,3,6,7,8,9-hexahydro-1H-imidazo[2,1-b]quinazolin-5-one.

Molecular Properties

Compound Name2,3,6,7,8,9-hexahydro-1H-imidazo[2,1-b]quinazolin-5-one
PubChem CID135507764
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name2,3,6,7,8,9-hexahydro-1H-imidazo[2,1-b]quinazolin-5-one
SMILESO=c1c2c(nc3n1CCN3)CCCC2
InChIInChI=1S/C10H13N3O/c14-9-7-3-1-2-4-8(7)12-10-11-5-6-13(9)10/h1-6H2,(H,11,12)
InChIKeyFXFDVNZUIUJUFQ-UHFFFAOYSA-N
XLogP0.55
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3,6,7,8,9-hexahydro-1H-imidazo[2,1-b]quinazolin-5-one?
The IUPAC name of 2,3,6,7,8,9-hexahydro-1H-imidazo[2,1-b]quinazolin-5-one (CID 135507764) is 2,3,6,7,8,9-hexahydro-1H-imidazo[2,1-b]quinazolin-5-one.
What is the SMILES notation for 2,3,6,7,8,9-hexahydro-1H-imidazo[2,1-b]quinazolin-5-one?
The canonical SMILES for 2,3,6,7,8,9-hexahydro-1H-imidazo[2,1-b]quinazolin-5-one is O=c1c2c(nc3n1CCN3)CCCC2.
What is the InChIKey of 2,3,6,7,8,9-hexahydro-1H-imidazo[2,1-b]quinazolin-5-one?
The InChIKey is FXFDVNZUIUJUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c14-9-7-3-1-2-4-8(7)12-10-11-5-6-13(9)10/h1-6H2,(H,11,12).
What are the key properties of 2,3,6,7,8,9-hexahydro-1H-imidazo[2,1-b]quinazolin-5-one?
2,3,6,7,8,9-hexahydro-1H-imidazo[2,1-b]quinazolin-5-one has a molecular weight of 191.23 g/mol, XLogP of 0.55, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6,7,8,9-hexahydro-1H-imidazo[2,1-b]quinazolin-5-one is sourced from PubChem (CID 135507764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).