11-[3-(diethylamino)propoxy]-6,7-dihydro-5H-quinazolino[2,3-a][2]benzazepin-9-one

C24H29N3O2 — CID 118710500

IUPAC11-[3-(diethylamino)propoxy]-6,7-dihydro-5H-quinazolino[2,3-a][2]benzazepin-9-one
SMILESCCN(CC)CCCOc1ccc2nc3n(c(=O)c2c1)CCCc1ccccc1-3
InChIInChI=1S/C24H29N3O2/c1-3-26(4-2)14-8-16-29-19-12-13-22-21(17-19)24(28)27-15-7-10-18-9-5-6-11-20(18)23(27)25-22/h5-6,9,11-13,17H,3-4,7-8,10,14-16H2,1-2H3
InChIKeyGLVFHGWUKQPBOF-UHFFFAOYSA-N
MW391.52 g/mol
LogP4.12
Rot. Bonds7

About 11-[3-(diethylamino)propoxy]-6,7-dihydro-5H-quinazolino[2,3-a][2]benzazepin-9-one

11-[3-(diethylamino)propoxy]-6,7-dihydro-5H-quinazolino[2,3-a][2]benzazepin-9-one (PubChem CID 118710500) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 11-[3-(diethylamino)propoxy]-6,7-dihydro-5H-quinazolino[2,3-a][2]benzazepin-9-one.

Molecular Properties

Compound Name11-[3-(diethylamino)propoxy]-6,7-dihydro-5H-quinazolino[2,3-a][2]benzazepin-9-one
PubChem CID118710500
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name11-[3-(diethylamino)propoxy]-6,7-dihydro-5H-quinazolino[2,3-a][2]benzazepin-9-one
SMILESCCN(CC)CCCOc1ccc2nc3n(c(=O)c2c1)CCCc1ccccc1-3
InChIInChI=1S/C24H29N3O2/c1-3-26(4-2)14-8-16-29-19-12-13-22-21(17-19)24(28)27-15-7-10-18-9-5-6-11-20(18)23(27)25-22/h5-6,9,11-13,17H,3-4,7-8,10,14-16H2,1-2H3
InChIKeyGLVFHGWUKQPBOF-UHFFFAOYSA-N
XLogP4.12
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 11-[3-(diethylamino)propoxy]-6,7-dihydro-5H-quinazolino[2,3-a][2]benzazepin-9-one?
The IUPAC name of 11-[3-(diethylamino)propoxy]-6,7-dihydro-5H-quinazolino[2,3-a][2]benzazepin-9-one (CID 118710500) is 11-[3-(diethylamino)propoxy]-6,7-dihydro-5H-quinazolino[2,3-a][2]benzazepin-9-one.
What is the SMILES notation for 11-[3-(diethylamino)propoxy]-6,7-dihydro-5H-quinazolino[2,3-a][2]benzazepin-9-one?
The canonical SMILES for 11-[3-(diethylamino)propoxy]-6,7-dihydro-5H-quinazolino[2,3-a][2]benzazepin-9-one is CCN(CC)CCCOc1ccc2nc3n(c(=O)c2c1)CCCc1ccccc1-3.
What is the InChIKey of 11-[3-(diethylamino)propoxy]-6,7-dihydro-5H-quinazolino[2,3-a][2]benzazepin-9-one?
The InChIKey is GLVFHGWUKQPBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-3-26(4-2)14-8-16-29-19-12-13-22-21(17-19)24(28)27-15-7-10-18-9-5-6-11-20(18)23(27)25-22/h5-6,9,11-13,17H,3-4,7-8,10,14-16H2,1-2H3.
What are the key properties of 11-[3-(diethylamino)propoxy]-6,7-dihydro-5H-quinazolino[2,3-a][2]benzazepin-9-one?
11-[3-(diethylamino)propoxy]-6,7-dihydro-5H-quinazolino[2,3-a][2]benzazepin-9-one has a molecular weight of 391.52 g/mol, XLogP of 4.12, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[3-(diethylamino)propoxy]-6,7-dihydro-5H-quinazolino[2,3-a][2]benzazepin-9-one is sourced from PubChem (CID 118710500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).