4-[2-(dimethylamino)ethyl]-4,14-diazapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2(6),7,9,11,15,17,19-octaene-3,5-dione

C22H19N3O2 — CID 11646133

IUPAC4-[2-(dimethylamino)ethyl]-4,14-diazapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2(6),7,9,11,15,17,19-octaene-3,5-dione
SMILESCN(C)CCN1C(=O)c2c(c3c4ccccc4[nH]c3c3ccccc23)C1=O
InChIInChI=1S/C22H19N3O2/c1-24(2)11-12-25-21(26)18-13-7-3-4-8-14(13)20-17(19(18)22(25)27)15-9-5-6-10-16(15)23-20/h3-10,23H,11-12H2,1-2H3
InChIKeyOSJXZPKKXPHJQU-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.63
Rot. Bonds3

About 4-[2-(dimethylamino)ethyl]-4,14-diazapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2(6),7,9,11,15,17,19-octaene-3,5-dione

4-[2-(dimethylamino)ethyl]-4,14-diazapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2(6),7,9,11,15,17,19-octaene-3,5-dione (PubChem CID 11646133) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethyl]-4,14-diazapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2(6),7,9,11,15,17,19-octaene-3,5-dione.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethyl]-4,14-diazapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2(6),7,9,11,15,17,19-octaene-3,5-dione
PubChem CID11646133
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC Name4-[2-(dimethylamino)ethyl]-4,14-diazapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2(6),7,9,11,15,17,19-octaene-3,5-dione
SMILESCN(C)CCN1C(=O)c2c(c3c4ccccc4[nH]c3c3ccccc23)C1=O
InChIInChI=1S/C22H19N3O2/c1-24(2)11-12-25-21(26)18-13-7-3-4-8-14(13)20-17(19(18)22(25)27)15-9-5-6-10-16(15)23-20/h3-10,23H,11-12H2,1-2H3
InChIKeyOSJXZPKKXPHJQU-UHFFFAOYSA-N
XLogP3.63
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[2-(dimethylamino)ethyl]-4,14-diazapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2(6),7,9,11,15,17,19-octaene-3,5-dione with MolForge

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Related Compounds

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CID 137393235
2-[2-(dimethylamino)ethyl]-3,11-dihydropyrrolo[3,4-c]acridine-1,6-dione
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CID 11724386
5-methyl-7H-indolo[2,3-c]quinolin-6-one
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(3aR,10cR)-2-[2-(dimethylamino)ethyl]-4,5,6,10c-tetrahydro-3aH-pyrrolo[3,4-c]carbazole-1,3-dione
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(3aS,10cS)-2-[2-(dimethylamino)ethyl]-4,5,6,10c-tetrahydro-3aH-pyrrolo[3,4-c]carbazole-1,3-dione
CID 11872765
2-[2-(dimethylamino)ethyl]-5-ethoxy-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione
CID 19808811
2-[2-(dimethylamino)ethyl]-1,6-dihydropyrrolo[3,4-c]carbazol-3-one
CID 67893425
2-[2-(dimethylamino)ethyl]-5-ethoxy-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione;hydrochloride
CID 19808810
2-[2-(dimethylamino)ethyl]-4-nitrobenzo[e]isoindole-1,3-dione
CID 21327568
5-chloro-13-methyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17,19,21-nonaene-12,14-dione
CID 139585182

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethyl]-4,14-diazapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2(6),7,9,11,15,17,19-octaene-3,5-dione?
The IUPAC name of 4-[2-(dimethylamino)ethyl]-4,14-diazapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2(6),7,9,11,15,17,19-octaene-3,5-dione (CID 11646133) is 4-[2-(dimethylamino)ethyl]-4,14-diazapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2(6),7,9,11,15,17,19-octaene-3,5-dione.
What is the SMILES notation for 4-[2-(dimethylamino)ethyl]-4,14-diazapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2(6),7,9,11,15,17,19-octaene-3,5-dione?
The canonical SMILES for 4-[2-(dimethylamino)ethyl]-4,14-diazapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2(6),7,9,11,15,17,19-octaene-3,5-dione is CN(C)CCN1C(=O)c2c(c3c4ccccc4[nH]c3c3ccccc23)C1=O.
What is the InChIKey of 4-[2-(dimethylamino)ethyl]-4,14-diazapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2(6),7,9,11,15,17,19-octaene-3,5-dione?
The InChIKey is OSJXZPKKXPHJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2/c1-24(2)11-12-25-21(26)18-13-7-3-4-8-14(13)20-17(19(18)22(25)27)15-9-5-6-10-16(15)23-20/h3-10,23H,11-12H2,1-2H3.
What are the key properties of 4-[2-(dimethylamino)ethyl]-4,14-diazapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2(6),7,9,11,15,17,19-octaene-3,5-dione?
4-[2-(dimethylamino)ethyl]-4,14-diazapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2(6),7,9,11,15,17,19-octaene-3,5-dione has a molecular weight of 357.41 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethyl]-4,14-diazapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2(6),7,9,11,15,17,19-octaene-3,5-dione is sourced from PubChem (CID 11646133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).