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

C13H14N2O2 — CID 45118325

IUPAC4-hydroxy-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one
SMILESO=c1c2cccc(O)c2nc2n1CCCCC2
InChIInChI=1S/C13H14N2O2/c16-10-6-4-5-9-12(10)14-11-7-2-1-3-8-15(11)13(9)17/h4-6,16H,1-3,7-8H2
InChIKeyIWYVVYCPFPUUEN-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.83
Rot. Bonds

About 4-hydroxy-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one

4-hydroxy-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one (PubChem CID 45118325) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 4-hydroxy-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one.

Molecular Properties

Compound Name4-hydroxy-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one
PubChem CID45118325
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name4-hydroxy-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one
SMILESO=c1c2cccc(O)c2nc2n1CCCCC2
InChIInChI=1S/C13H14N2O2/c16-10-6-4-5-9-12(10)14-11-7-2-1-3-8-15(11)13(9)17/h4-6,16H,1-3,7-8H2
InChIKeyIWYVVYCPFPUUEN-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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Related Compounds

2,4-dihydroxy-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one
CID 11557820
1-hydroxy-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one
CID 86150310
2-hydroxy-3-phenylsulfanyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 136680481
4-bromo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-imine
CID 18992578
N-(3-hydroxy-2-pyridinyl)-13-oxo-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carboxamide
CID 46666743
1-(trifluoromethyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one
CID 123373711
13-oxo-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carbonyl chloride
CID 58574486
3-(piperidine-1-carbonyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one
CID 2099778
16-hydroxy-15-phenylsulfanyl-18-thia-2,9-diazatetracyclo[9.7.0.03,9.012,17]octadeca-1(11),2,12(17),13,15-pentaen-10-one
CID 3124079
12-oxo-N-phenyl-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide
CID 4816890
N-[(3-chlorophenyl)methyl]-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide
CID 9096007
6-bromo-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole
CID 171064698

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one?
The IUPAC name of 4-hydroxy-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one (CID 45118325) is 4-hydroxy-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one.
What is the SMILES notation for 4-hydroxy-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one?
The canonical SMILES for 4-hydroxy-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one is O=c1c2cccc(O)c2nc2n1CCCCC2.
What is the InChIKey of 4-hydroxy-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one?
The InChIKey is IWYVVYCPFPUUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c16-10-6-4-5-9-12(10)14-11-7-2-1-3-8-15(11)13(9)17/h4-6,16H,1-3,7-8H2.
What are the key properties of 4-hydroxy-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one?
4-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 4-hydroxy-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one is sourced from PubChem (CID 45118325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).