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

C14H16N2O — CID 730196

IUPAC2-methyl-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one
SMILESCc1ccc2nc3n(c(=O)c2c1)CCCCC3
InChIInChI=1S/C14H16N2O/c1-10-6-7-12-11(9-10)14(17)16-8-4-2-3-5-13(16)15-12/h6-7,9H,2-5,8H2,1H3
InChIKeyRNWRFZQMDQTFFB-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.43
Rot. Bonds

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

2-methyl-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one (PubChem CID 730196) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 2-methyl-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one.

Molecular Properties

Compound Name2-methyl-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one
PubChem CID730196
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name2-methyl-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one
SMILESCc1ccc2nc3n(c(=O)c2c1)CCCCC3
InChIInChI=1S/C14H16N2O/c1-10-6-7-12-11(9-10)14(17)16-8-4-2-3-5-13(16)15-12/h6-7,9H,2-5,8H2,1H3
InChIKeyRNWRFZQMDQTFFB-UHFFFAOYSA-N
XLogP2.43
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-methyl-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one?
The IUPAC name of 2-methyl-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one (CID 730196) is 2-methyl-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one.
What is the SMILES notation for 2-methyl-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one?
The canonical SMILES for 2-methyl-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one is Cc1ccc2nc3n(c(=O)c2c1)CCCCC3.
What is the InChIKey of 2-methyl-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one?
The InChIKey is RNWRFZQMDQTFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-10-6-7-12-11(9-10)14(17)16-8-4-2-3-5-13(16)15-12/h6-7,9H,2-5,8H2,1H3.
What are the key properties of 2-methyl-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one?
2-methyl-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one has a molecular weight of 228.30 g/mol, XLogP of 2.43, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one is sourced from PubChem (CID 730196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).