16-[2-(dimethylamino)ethyl]-10-(2-piperidin-1-ylethyl)-1,9,10,16-tetrazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-2,4,6,8,11(19),12,14(18)-heptaene-15,17-dione

C26H30N6O2 — CID 11134286

IUPAC16-[2-(dimethylamino)ethyl]-10-(2-piperidin-1-ylethyl)-1,9,10,16-tetrazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-2,4,6,8,11(19),12,14(18)-heptaene-15,17-dione
SMILESCN(C)CCn1c(=O)c2ccc3c4c(nn3CCN3CCCCC3)c3ccccc3n(c1=O)c24
InChIInChI=1S/C26H30N6O2/c1-28(2)14-16-30-25(33)19-10-11-21-22-23(27-31(21)17-15-29-12-6-3-7-13-29)18-8-4-5-9-20(18)32(24(19)22)26(30)34/h4-5,8-11H,3,6-7,12-17H2,1-2H3
InChIKeyKYZILYKGEMOZIK-UHFFFAOYSA-N
MW458.57 g/mol
LogP2.60
Rot. Bonds6

About 16-[2-(dimethylamino)ethyl]-10-(2-piperidin-1-ylethyl)-1,9,10,16-tetrazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-2,4,6,8,11(19),12,14(18)-heptaene-15,17-dione

16-[2-(dimethylamino)ethyl]-10-(2-piperidin-1-ylethyl)-1,9,10,16-tetrazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-2,4,6,8,11(19),12,14(18)-heptaene-15,17-dione (PubChem CID 11134286) has the molecular formula C26H30N6O2 and a molecular weight of 458.57 g/mol. Its IUPAC name is 16-[2-(dimethylamino)ethyl]-10-(2-piperidin-1-ylethyl)-1,9,10,16-tetrazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-2,4,6,8,11(19),12,14(18)-heptaene-15,17-dione.

Molecular Properties

Compound Name16-[2-(dimethylamino)ethyl]-10-(2-piperidin-1-ylethyl)-1,9,10,16-tetrazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-2,4,6,8,11(19),12,14(18)-heptaene-15,17-dione
PubChem CID11134286
Molecular FormulaC26H30N6O2
Molecular Weight458.57 g/mol
Exact Mass458.24
IUPAC Name16-[2-(dimethylamino)ethyl]-10-(2-piperidin-1-ylethyl)-1,9,10,16-tetrazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-2,4,6,8,11(19),12,14(18)-heptaene-15,17-dione
SMILESCN(C)CCn1c(=O)c2ccc3c4c(nn3CCN3CCCCC3)c3ccccc3n(c1=O)c24
InChIInChI=1S/C26H30N6O2/c1-28(2)14-16-30-25(33)19-10-11-21-22-23(27-31(21)17-15-29-12-6-3-7-13-29)18-8-4-5-9-20(18)32(24(19)22)26(30)34/h4-5,8-11H,3,6-7,12-17H2,1-2H3
InChIKeyKYZILYKGEMOZIK-UHFFFAOYSA-N
XLogP2.60
TPSA67.78 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.57
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 16-[2-(dimethylamino)ethyl]-10-(2-piperidin-1-ylethyl)-1,9,10,16-tetrazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-2,4,6,8,11(19),12,14(18)-heptaene-15,17-dione with MolForge

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Related Compounds

6H-Pyrazolo[3,5-kl]acridine-5-carboxamide, N,N'-[methyliminobis(3,1-propanediyl)] bis[2-[2-(dimethylamino)ethyl]-
CID 135426709
10,16-Bis[2-(dimethylamino)ethyl]-5-nitro-1,9,10,16-tetrazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-2(7),3,5,8,11(19),12,14(18)-heptaene-15,17-dione
CID 399632
5-Amino-10,16-bis[2-(dimethylamino)ethyl]-1,9,10,16-tetrazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-2(7),3,5,8,11(19),12,14(18)-heptaene-15,17-dione
CID 399633
16-[2-(Dimethylamino)ethyl]-5-nitro-10-(2-piperidin-1-ylethyl)-1,9,10,16-tetrazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-2(7),3,5,8,11(19),12,14(18)-heptaene-15,17-dione
CID 11016601
5-Amino-16-[2-(dimethylamino)ethyl]-10-(2-piperidin-1-ylethyl)-1,9,10,16-tetrazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-2(7),3,5,8,11(19),12,14(18)-heptaene-15,17-dione
CID 44374643
10,16-Bis[2-(dimethylamino)ethyl]-1,9,10,16-tetrazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-2,4,6,8,11(19),12,14(18)-heptaene-15,17-dione
CID 399629
10-[2-(Dimethylamino)ethylamino]-14-[[2-(dimethylamino)ethylamino]methyl]-1,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-8-one
CID 10454027
10-[2-(Dimethylamino)ethyl]-16-[3-(dimethylamino)propyl]-1,9,10,16-tetrazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-2,4,6,8,11(19),12,14(18)-heptaene-15,17-dione
CID 10950098
10,16-Bis[3-(dimethylamino)propyl]-1,9,10,16-tetrazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-2,4,6,8,11(19),12,14(18)-heptaene-15,17-dione
CID 11102354
10,16-Bis[2-(dimethylamino)ethyl]-5-hydroxy-1,9,10,16-tetrazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-2(7),3,5,8,11(19),12,14(18)-heptaene-15,17-dione
CID 399631
16-[2-(Dimethylamino)ethyl]-10-[3-(dimethylamino)propyl]-5-hydroxy-1,9,10,16-tetrazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-2(7),3,5,8,11(19),12,14(18)-heptaene-15,17-dione
CID 10950399
16-[2-(Dimethylamino)ethyl]-10-(2-pyrrolidin-1-ylethyl)-1,9,10,16-tetrazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-2,4,6,8,11(19),12,14(18)-heptaene-15,17-dione
CID 11059317

Frequently Asked Questions

What is the IUPAC name of 16-[2-(dimethylamino)ethyl]-10-(2-piperidin-1-ylethyl)-1,9,10,16-tetrazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-2,4,6,8,11(19),12,14(18)-heptaene-15,17-dione?
The IUPAC name of 16-[2-(dimethylamino)ethyl]-10-(2-piperidin-1-ylethyl)-1,9,10,16-tetrazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-2,4,6,8,11(19),12,14(18)-heptaene-15,17-dione (CID 11134286) is 16-[2-(dimethylamino)ethyl]-10-(2-piperidin-1-ylethyl)-1,9,10,16-tetrazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-2,4,6,8,11(19),12,14(18)-heptaene-15,17-dione.
What is the SMILES notation for 16-[2-(dimethylamino)ethyl]-10-(2-piperidin-1-ylethyl)-1,9,10,16-tetrazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-2,4,6,8,11(19),12,14(18)-heptaene-15,17-dione?
The canonical SMILES for 16-[2-(dimethylamino)ethyl]-10-(2-piperidin-1-ylethyl)-1,9,10,16-tetrazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-2,4,6,8,11(19),12,14(18)-heptaene-15,17-dione is CN(C)CCn1c(=O)c2ccc3c4c(nn3CCN3CCCCC3)c3ccccc3n(c1=O)c24.
What is the InChIKey of 16-[2-(dimethylamino)ethyl]-10-(2-piperidin-1-ylethyl)-1,9,10,16-tetrazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-2,4,6,8,11(19),12,14(18)-heptaene-15,17-dione?
The InChIKey is KYZILYKGEMOZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O2/c1-28(2)14-16-30-25(33)19-10-11-21-22-23(27-31(21)17-15-29-12-6-3-7-13-29)18-8-4-5-9-20(18)32(24(19)22)26(30)34/h4-5,8-11H,3,6-7,12-17H2,1-2H3.
What are the key properties of 16-[2-(dimethylamino)ethyl]-10-(2-piperidin-1-ylethyl)-1,9,10,16-tetrazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-2,4,6,8,11(19),12,14(18)-heptaene-15,17-dione?
16-[2-(dimethylamino)ethyl]-10-(2-piperidin-1-ylethyl)-1,9,10,16-tetrazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-2,4,6,8,11(19),12,14(18)-heptaene-15,17-dione has a molecular weight of 458.57 g/mol, XLogP of 2.60, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 16-[2-(dimethylamino)ethyl]-10-(2-piperidin-1-ylethyl)-1,9,10,16-tetrazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-2,4,6,8,11(19),12,14(18)-heptaene-15,17-dione is sourced from PubChem (CID 11134286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).