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

C24H28N6O3 — CID 10950399

IUPAC16-[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
SMILESCN(C)CCCn1nc2c3cc(O)ccc3n3c(=O)n(CCN(C)C)c(=O)c4ccc1c2c43
InChIInChI=1S/C24H28N6O3/c1-26(2)10-5-11-29-19-9-7-16-22-20(19)21(25-29)17-14-15(31)6-8-18(17)30(22)24(33)28(23(16)32)13-12-27(3)4/h6-9,14,31H,5,10-13H2,1-4H3
InChIKeyGPTVMIOMIJTIPF-UHFFFAOYSA-N
MW448.53 g/mol
LogP1.77
Rot. Bonds7

About 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

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 (PubChem CID 10950399) has the molecular formula C24H28N6O3 and a molecular weight of 448.53 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name16-[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
PubChem CID10950399
Molecular FormulaC24H28N6O3
Molecular Weight448.53 g/mol
Exact Mass448.22
IUPAC Name16-[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
SMILESCN(C)CCCn1nc2c3cc(O)ccc3n3c(=O)n(CCN(C)C)c(=O)c4ccc1c2c43
InChIInChI=1S/C24H28N6O3/c1-26(2)10-5-11-29-19-9-7-16-22-20(19)21(25-29)17-14-15(31)6-8-18(17)30(22)24(33)28(23(16)32)13-12-27(3)4/h6-9,14,31H,5,10-13H2,1-4H3
InChIKeyGPTVMIOMIJTIPF-UHFFFAOYSA-N
XLogP1.77
TPSA88.01 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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-[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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN(C)CCCn1nc2c3cc(O)ccc3n3c(=O)n(CCN(C)C)c(=O)c4ccc1c2c43.
What is the InChIKey of 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?
The InChIKey is GPTVMIOMIJTIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O3/c1-26(2)10-5-11-29-19-9-7-16-22-20(19)21(25-29)17-14-15(31)6-8-18(17)30(22)24(33)28(23(16)32)13-12-27(3)4/h6-9,14,31H,5,10-13H2,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 448.53 g/mol, XLogP of 1.77, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 10950399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).