7-[3-(diethylamino)propyl]benzo[a]phenazin-5-one

C23H25N3O — CID 118731436

IUPAC7-[3-(diethylamino)propyl]benzo[a]phenazin-5-one
SMILESCCN(CC)CCCn1c2cc(=O)c3ccccc3c-2nc2ccccc21
InChIInChI=1S/C23H25N3O/c1-3-25(4-2)14-9-15-26-20-13-8-7-12-19(20)24-23-18-11-6-5-10-17(18)22(27)16-21(23)26/h5-8,10-13,16H,3-4,9,14-15H2,1-2H3
InChIKeyNYAJPECBPRRECD-UHFFFAOYSA-N
MW359.47 g/mol
LogP4.39
Rot. Bonds6

About 7-[3-(diethylamino)propyl]benzo[a]phenazin-5-one

7-[3-(diethylamino)propyl]benzo[a]phenazin-5-one (PubChem CID 118731436) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is 7-[3-(diethylamino)propyl]benzo[a]phenazin-5-one.

Molecular Properties

Compound Name7-[3-(diethylamino)propyl]benzo[a]phenazin-5-one
PubChem CID118731436
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC Name7-[3-(diethylamino)propyl]benzo[a]phenazin-5-one
SMILESCCN(CC)CCCn1c2cc(=O)c3ccccc3c-2nc2ccccc21
InChIInChI=1S/C23H25N3O/c1-3-25(4-2)14-9-15-26-20-13-8-7-12-19(20)24-23-18-11-6-5-10-17(18)22(27)16-21(23)26/h5-8,10-13,16H,3-4,9,14-15H2,1-2H3
InChIKeyNYAJPECBPRRECD-UHFFFAOYSA-N
XLogP4.39
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

7-(2-piperidin-1-ylethyl)benzo[a]phenazin-5-one
CID 118731433
3-[2-(chloromethyl)benzimidazol-1-yl]-N,N-diethylpropan-1-amine
CID 29075881
6-[3-(diethylamino)propyl]benzimidazolo[2,1-b]quinazolin-12-one
CID 10936974
3-[3-(diethylamino)propyl]-2-phenylquinazolin-4-one
CID 23736145
2-(chloromethyl)-3-[3-(diethylamino)propyl]quinazolin-4-one
CID 61064400
N,N-diethyl-3-[2-(4-ethylphenyl)benzimidazol-1-yl]propan-1-amine
CID 175453602
3-methyl-7-(3-methylbut-2-enyl)benzo[a]phenazin-5-one
CID 57333430
3-[1-[3-(diethylamino)propyl]benzimidazol-2-yl]-N-methylbenzamide
CID 175453655
1-[2-(diethylamino)ethyl]benzimidazol-2-amine
CID 559474
N,N-diethyl-3-[2-(3-pyrrolidin-1-ylphenyl)benzimidazol-1-yl]propan-1-amine
CID 175453548
10-dodecylphenazin-2-one
CID 10570808
(2R)-2-[3-[3-(diethylamino)propyl]-4-oxoquinazolin-2-yl]sulfanylpropanenitrile
CID 9375491

Frequently Asked Questions

What is the IUPAC name of 7-[3-(diethylamino)propyl]benzo[a]phenazin-5-one?
The IUPAC name of 7-[3-(diethylamino)propyl]benzo[a]phenazin-5-one (CID 118731436) is 7-[3-(diethylamino)propyl]benzo[a]phenazin-5-one.
What is the SMILES notation for 7-[3-(diethylamino)propyl]benzo[a]phenazin-5-one?
The canonical SMILES for 7-[3-(diethylamino)propyl]benzo[a]phenazin-5-one is CCN(CC)CCCn1c2cc(=O)c3ccccc3c-2nc2ccccc21.
What is the InChIKey of 7-[3-(diethylamino)propyl]benzo[a]phenazin-5-one?
The InChIKey is NYAJPECBPRRECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O/c1-3-25(4-2)14-9-15-26-20-13-8-7-12-19(20)24-23-18-11-6-5-10-17(18)22(27)16-21(23)26/h5-8,10-13,16H,3-4,9,14-15H2,1-2H3.
What are the key properties of 7-[3-(diethylamino)propyl]benzo[a]phenazin-5-one?
7-[3-(diethylamino)propyl]benzo[a]phenazin-5-one has a molecular weight of 359.47 g/mol, XLogP of 4.39, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(diethylamino)propyl]benzo[a]phenazin-5-one is sourced from PubChem (CID 118731436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).