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

C15H18N2O3 — CID 11572621

IUPAC2,4-dimethoxy-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one
SMILESCOc1cc(OC)c2nc3n(c(=O)c2c1)CCCCC3
InChIInChI=1S/C15H18N2O3/c1-19-10-8-11-14(12(9-10)20-2)16-13-6-4-3-5-7-17(13)15(11)18/h8-9H,3-7H2,1-2H3
InChIKeyGUGHWLKZQNJNFN-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.14
Rot. Bonds2

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

2,4-dimethoxy-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one (PubChem CID 11572621) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2,4-dimethoxy-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one.

Molecular Properties

Compound Name2,4-dimethoxy-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one
PubChem CID11572621
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name2,4-dimethoxy-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one
SMILESCOc1cc(OC)c2nc3n(c(=O)c2c1)CCCCC3
InChIInChI=1S/C15H18N2O3/c1-19-10-8-11-14(12(9-10)20-2)16-13-6-4-3-5-7-17(13)15(11)18/h8-9H,3-7H2,1-2H3
InChIKeyGUGHWLKZQNJNFN-UHFFFAOYSA-N
XLogP2.14
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one?
The IUPAC name of 2,4-dimethoxy-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one (CID 11572621) is 2,4-dimethoxy-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one.
What is the SMILES notation for 2,4-dimethoxy-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one?
The canonical SMILES for 2,4-dimethoxy-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one is COc1cc(OC)c2nc3n(c(=O)c2c1)CCCCC3.
What is the InChIKey of 2,4-dimethoxy-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one?
The InChIKey is GUGHWLKZQNJNFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-19-10-8-11-14(12(9-10)20-2)16-13-6-4-3-5-7-17(13)15(11)18/h8-9H,3-7H2,1-2H3.
What are the key properties of 2,4-dimethoxy-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one?
2,4-dimethoxy-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one has a molecular weight of 274.32 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one is sourced from PubChem (CID 11572621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).