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

C24H28N6O2 — CID 10950098

IUPAC10-[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
SMILESCN(C)CCCn1c(=O)c2ccc3c4c(nn3CCN(C)C)c3ccccc3n(c1=O)c24
InChIInChI=1S/C24H28N6O2/c1-26(2)12-7-13-28-23(31)17-10-11-19-20-21(25-29(19)15-14-27(3)4)16-8-5-6-9-18(16)30(22(17)20)24(28)32/h5-6,8-11H,7,12-15H2,1-4H3
InChIKeyHIYVBZBAVPDJRJ-UHFFFAOYSA-N
MW432.53 g/mol
LogP2.07
Rot. Bonds7

About 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

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 (PubChem CID 10950098) has the molecular formula C24H28N6O2 and a molecular weight of 432.53 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name10-[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
PubChem CID10950098
Molecular FormulaC24H28N6O2
Molecular Weight432.53 g/mol
Exact Mass432.23
IUPAC Name10-[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
SMILESCN(C)CCCn1c(=O)c2ccc3c4c(nn3CCN(C)C)c3ccccc3n(c1=O)c24
InChIInChI=1S/C24H28N6O2/c1-26(2)12-7-13-28-23(31)17-10-11-19-20-21(25-29(19)15-14-27(3)4)16-8-5-6-9-18(16)30(22(17)20)24(28)32/h5-6,8-11H,7,12-15H2,1-4H3
InChIKeyHIYVBZBAVPDJRJ-UHFFFAOYSA-N
XLogP2.07
TPSA67.78 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 52.07
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 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN(C)CCCn1c(=O)c2ccc3c4c(nn3CCN(C)C)c3ccccc3n(c1=O)c24.
What is the InChIKey of 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?
The InChIKey is HIYVBZBAVPDJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O2/c1-26(2)12-7-13-28-23(31)17-10-11-19-20-21(25-29(19)15-14-27(3)4)16-8-5-6-9-18(16)30(22(17)20)24(28)32/h5-6,8-11H,7,12-15H2,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 432.53 g/mol, XLogP of 2.07, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 10950098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).