1-hydroxy-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one

C13H14N2O2 — CID 86150310

IUPAC1-hydroxy-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one
SMILESO=c1c2c(O)cccc2nc2n1CCCCC2
InChIInChI=1S/C13H14N2O2/c16-10-6-4-5-9-12(10)13(17)15-8-3-1-2-7-11(15)14-9/h4-6,16H,1-3,7-8H2
InChIKeyATVNXEFRAQPENF-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.83
Rot. Bonds

About 1-hydroxy-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one

1-hydroxy-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one (PubChem CID 86150310) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 1-hydroxy-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one.

Molecular Properties

Compound Name1-hydroxy-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one
PubChem CID86150310
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name1-hydroxy-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one
SMILESO=c1c2c(O)cccc2nc2n1CCCCC2
InChIInChI=1S/C13H14N2O2/c16-10-6-4-5-9-12(10)13(17)15-8-3-1-2-7-11(15)14-9/h4-6,16H,1-3,7-8H2
InChIKeyATVNXEFRAQPENF-UHFFFAOYSA-N
XLogP1.83
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one?
The IUPAC name of 1-hydroxy-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one (CID 86150310) is 1-hydroxy-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one.
What is the SMILES notation for 1-hydroxy-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one?
The canonical SMILES for 1-hydroxy-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one is O=c1c2c(O)cccc2nc2n1CCCCC2.
What is the InChIKey of 1-hydroxy-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one?
The InChIKey is ATVNXEFRAQPENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c16-10-6-4-5-9-12(10)13(17)15-8-3-1-2-7-11(15)14-9/h4-6,16H,1-3,7-8H2.
What are the key properties of 1-hydroxy-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one?
1-hydroxy-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one has a molecular weight of 230.27 g/mol, XLogP of 1.83, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one is sourced from PubChem (CID 86150310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).