11-[2-(diethylamino)ethylamino]-4-methyl-5,11-dihydrobenzo[c][1]benzazepin-6-one

C21H27N3O — CID 14502019

IUPAC11-[2-(diethylamino)ethylamino]-4-methyl-5,11-dihydrobenzo[c][1]benzazepin-6-one
SMILESCCN(CC)CCNC1c2ccccc2C(=O)Nc2c(C)cccc21
InChIInChI=1S/C21H27N3O/c1-4-24(5-2)14-13-22-20-16-10-6-7-11-17(16)21(25)23-19-15(3)9-8-12-18(19)20/h6-12,20,22H,4-5,13-14H2,1-3H3,(H,23,25)
InChIKeyRTJWANGJRXLRKY-UHFFFAOYSA-N
MW337.47 g/mol
LogP3.58
Rot. Bonds6

About 11-[2-(diethylamino)ethylamino]-4-methyl-5,11-dihydrobenzo[c][1]benzazepin-6-one

11-[2-(diethylamino)ethylamino]-4-methyl-5,11-dihydrobenzo[c][1]benzazepin-6-one (PubChem CID 14502019) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is 11-[2-(diethylamino)ethylamino]-4-methyl-5,11-dihydrobenzo[c][1]benzazepin-6-one.

Molecular Properties

Compound Name11-[2-(diethylamino)ethylamino]-4-methyl-5,11-dihydrobenzo[c][1]benzazepin-6-one
PubChem CID14502019
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Name11-[2-(diethylamino)ethylamino]-4-methyl-5,11-dihydrobenzo[c][1]benzazepin-6-one
SMILESCCN(CC)CCNC1c2ccccc2C(=O)Nc2c(C)cccc21
InChIInChI=1S/C21H27N3O/c1-4-24(5-2)14-13-22-20-16-10-6-7-11-17(16)21(25)23-19-15(3)9-8-12-18(19)20/h6-12,20,22H,4-5,13-14H2,1-3H3,(H,23,25)
InChIKeyRTJWANGJRXLRKY-UHFFFAOYSA-N
XLogP3.58
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 11-[2-(diethylamino)ethylamino]-4-methyl-5,11-dihydrobenzo[c][1]benzazepin-6-one?
The IUPAC name of 11-[2-(diethylamino)ethylamino]-4-methyl-5,11-dihydrobenzo[c][1]benzazepin-6-one (CID 14502019) is 11-[2-(diethylamino)ethylamino]-4-methyl-5,11-dihydrobenzo[c][1]benzazepin-6-one.
What is the SMILES notation for 11-[2-(diethylamino)ethylamino]-4-methyl-5,11-dihydrobenzo[c][1]benzazepin-6-one?
The canonical SMILES for 11-[2-(diethylamino)ethylamino]-4-methyl-5,11-dihydrobenzo[c][1]benzazepin-6-one is CCN(CC)CCNC1c2ccccc2C(=O)Nc2c(C)cccc21.
What is the InChIKey of 11-[2-(diethylamino)ethylamino]-4-methyl-5,11-dihydrobenzo[c][1]benzazepin-6-one?
The InChIKey is RTJWANGJRXLRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c1-4-24(5-2)14-13-22-20-16-10-6-7-11-17(16)21(25)23-19-15(3)9-8-12-18(19)20/h6-12,20,22H,4-5,13-14H2,1-3H3,(H,23,25).
What are the key properties of 11-[2-(diethylamino)ethylamino]-4-methyl-5,11-dihydrobenzo[c][1]benzazepin-6-one?
11-[2-(diethylamino)ethylamino]-4-methyl-5,11-dihydrobenzo[c][1]benzazepin-6-one has a molecular weight of 337.47 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[2-(diethylamino)ethylamino]-4-methyl-5,11-dihydrobenzo[c][1]benzazepin-6-one is sourced from PubChem (CID 14502019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).