2-methoxy-N-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)acetamide

C16H19N3O3 — CID 6620413

IUPAC2-methoxy-N-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)acetamide
SMILESCOCC(=O)Nc1ccc2nc3n(c(=O)c2c1)CCCCC3
InChIInChI=1S/C16H19N3O3/c1-22-10-15(20)17-11-6-7-13-12(9-11)16(21)19-8-4-2-3-5-14(19)18-13/h6-7,9H,2-5,8,10H2,1H3,(H,17,20)
InChIKeyGZRXANVVHPPAQY-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.71
Rot. Bonds3

About 2-methoxy-N-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)acetamide

2-methoxy-N-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)acetamide (PubChem CID 6620413) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-methoxy-N-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)acetamide.

Molecular Properties

Compound Name2-methoxy-N-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)acetamide
PubChem CID6620413
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name2-methoxy-N-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)acetamide
SMILESCOCC(=O)Nc1ccc2nc3n(c(=O)c2c1)CCCCC3
InChIInChI=1S/C16H19N3O3/c1-22-10-15(20)17-11-6-7-13-12(9-11)16(21)19-8-4-2-3-5-14(19)18-13/h6-7,9H,2-5,8,10H2,1H3,(H,17,20)
InChIKeyGZRXANVVHPPAQY-UHFFFAOYSA-N
XLogP1.71
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)acetamide?
The IUPAC name of 2-methoxy-N-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)acetamide (CID 6620413) is 2-methoxy-N-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)acetamide.
What is the SMILES notation for 2-methoxy-N-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)acetamide?
The canonical SMILES for 2-methoxy-N-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)acetamide is COCC(=O)Nc1ccc2nc3n(c(=O)c2c1)CCCCC3.
What is the InChIKey of 2-methoxy-N-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)acetamide?
The InChIKey is GZRXANVVHPPAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-22-10-15(20)17-11-6-7-13-12(9-11)16(21)19-8-4-2-3-5-14(19)18-13/h6-7,9H,2-5,8,10H2,1H3,(H,17,20).
What are the key properties of 2-methoxy-N-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)acetamide?
2-methoxy-N-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)acetamide has a molecular weight of 301.35 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)acetamide is sourced from PubChem (CID 6620413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).