2-(2,3-dihydroindol-1-yl)-2-oxo-N-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)acetamide

C23H22N4O3 — CID 23602348

IUPAC2-(2,3-dihydroindol-1-yl)-2-oxo-N-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)acetamide
SMILESO=C(Nc1ccc2nc3n(c(=O)c2c1)CCCCC3)C(=O)N1CCc2ccccc21
InChIInChI=1S/C23H22N4O3/c28-21(23(30)26-13-11-15-6-3-4-7-19(15)26)24-16-9-10-18-17(14-16)22(29)27-12-5-1-2-8-20(27)25-18/h3-4,6-7,9-10,14H,1-2,5,8,11-13H2,(H,24,28)
InChIKeyYBGJWHHECJDXEQ-UHFFFAOYSA-N
MW402.45 g/mol
LogP2.65
Rot. Bonds1

About 2-(2,3-dihydroindol-1-yl)-2-oxo-N-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)acetamide

2-(2,3-dihydroindol-1-yl)-2-oxo-N-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)acetamide (PubChem CID 23602348) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is 2-(2,3-dihydroindol-1-yl)-2-oxo-N-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)acetamide.

Molecular Properties

Compound Name2-(2,3-dihydroindol-1-yl)-2-oxo-N-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)acetamide
PubChem CID23602348
Molecular FormulaC23H22N4O3
Molecular Weight402.45 g/mol
Exact Mass402.17
IUPAC Name2-(2,3-dihydroindol-1-yl)-2-oxo-N-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)acetamide
SMILESO=C(Nc1ccc2nc3n(c(=O)c2c1)CCCCC3)C(=O)N1CCc2ccccc21
InChIInChI=1S/C23H22N4O3/c28-21(23(30)26-13-11-15-6-3-4-7-19(15)26)24-16-9-10-18-17(14-16)22(29)27-12-5-1-2-8-20(27)25-18/h3-4,6-7,9-10,14H,1-2,5,8,11-13H2,(H,24,28)
InChIKeyYBGJWHHECJDXEQ-UHFFFAOYSA-N
XLogP2.65
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-(2,4-difluorophenyl)-N-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)oxamide
CID 23602292
N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide
CID 167812971
2-(2,3-dihydroindol-1-yl)-2-oxo-N-phenylacetamide
CID 108521834
N'-(furan-2-ylmethyl)-N'-methyl-N-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)oxamide
CID 46261801
2-methoxy-N-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)benzamide
CID 24748020
4-methoxy-N-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)benzamide
CID 46261345
5-bromo-N-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)furan-2-carboxamide
CID 4259168
(E)-3-(furan-2-yl)-N-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)prop-2-enamide
CID 6309876
2-chloro-N-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)pyridine-3-carboxamide
CID 24791419
3-methoxy-N-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)benzamide
CID 24747964
2-(2,3-dihydroindol-1-yl)-N-(3,4-dimethylphenyl)-2-oxoacetamide
CID 108523162
2-ethoxy-N-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)benzamide
CID 46261327

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroindol-1-yl)-2-oxo-N-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)acetamide?
The IUPAC name of 2-(2,3-dihydroindol-1-yl)-2-oxo-N-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)acetamide (CID 23602348) is 2-(2,3-dihydroindol-1-yl)-2-oxo-N-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)acetamide.
What is the SMILES notation for 2-(2,3-dihydroindol-1-yl)-2-oxo-N-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)acetamide?
The canonical SMILES for 2-(2,3-dihydroindol-1-yl)-2-oxo-N-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)acetamide is O=C(Nc1ccc2nc3n(c(=O)c2c1)CCCCC3)C(=O)N1CCc2ccccc21.
What is the InChIKey of 2-(2,3-dihydroindol-1-yl)-2-oxo-N-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)acetamide?
The InChIKey is YBGJWHHECJDXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3/c28-21(23(30)26-13-11-15-6-3-4-7-19(15)26)24-16-9-10-18-17(14-16)22(29)27-12-5-1-2-8-20(27)25-18/h3-4,6-7,9-10,14H,1-2,5,8,11-13H2,(H,24,28).
What are the key properties of 2-(2,3-dihydroindol-1-yl)-2-oxo-N-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)acetamide?
2-(2,3-dihydroindol-1-yl)-2-oxo-N-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)acetamide has a molecular weight of 402.45 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroindol-1-yl)-2-oxo-N-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)acetamide is sourced from PubChem (CID 23602348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).