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

C22H23N3O3 — CID 24793679

IUPAC2-ethoxy-N-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)benzamide
SMILESCCOc1ccccc1C(=O)Nc1ccc2nc3n(c(=O)c2c1)CCCCC3
InChIInChI=1S/C22H23N3O3/c1-2-28-19-9-6-5-8-16(19)21(26)23-15-11-12-18-17(14-15)22(27)25-13-7-3-4-10-20(25)24-18/h5-6,8-9,11-12,14H,2-4,7,10,13H2,1H3,(H,23,26)
InChIKeyQMAHTISWMMIVGZ-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.77
Rot. Bonds4

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

2-ethoxy-N-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)benzamide (PubChem CID 24793679) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 2-ethoxy-N-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)benzamide.

Molecular Properties

Compound Name2-ethoxy-N-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)benzamide
PubChem CID24793679
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name2-ethoxy-N-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)benzamide
SMILESCCOc1ccccc1C(=O)Nc1ccc2nc3n(c(=O)c2c1)CCCCC3
InChIInChI=1S/C22H23N3O3/c1-2-28-19-9-6-5-8-16(19)21(26)23-15-11-12-18-17(14-15)22(27)25-13-7-3-4-10-20(25)24-18/h5-6,8-9,11-12,14H,2-4,7,10,13H2,1H3,(H,23,26)
InChIKeyQMAHTISWMMIVGZ-UHFFFAOYSA-N
XLogP3.77
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)benzamide?
The IUPAC name of 2-ethoxy-N-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)benzamide (CID 24793679) is 2-ethoxy-N-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)benzamide.
What is the SMILES notation for 2-ethoxy-N-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)benzamide?
The canonical SMILES for 2-ethoxy-N-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)benzamide is CCOc1ccccc1C(=O)Nc1ccc2nc3n(c(=O)c2c1)CCCCC3.
What is the InChIKey of 2-ethoxy-N-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)benzamide?
The InChIKey is QMAHTISWMMIVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-2-28-19-9-6-5-8-16(19)21(26)23-15-11-12-18-17(14-15)22(27)25-13-7-3-4-10-20(25)24-18/h5-6,8-9,11-12,14H,2-4,7,10,13H2,1H3,(H,23,26).
What are the key properties of 2-ethoxy-N-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)benzamide?
2-ethoxy-N-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)benzamide has a molecular weight of 377.44 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)benzamide is sourced from PubChem (CID 24793679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).