6-chloro-15-[2-(dimethylamino)ethyl]-10-[2-(dimethylamino)ethylamino]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9,11,13(17)-heptaene-14,16-dione

C24H27ClN4O2 — CID 10551016

IUPAC6-chloro-15-[2-(dimethylamino)ethyl]-10-[2-(dimethylamino)ethylamino]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9,11,13(17)-heptaene-14,16-dione
SMILESCN(C)CCNc1ccc2c3c(c4cccc(Cl)c4cc13)C(=O)N(CCN(C)C)C2=O
InChIInChI=1S/C24H27ClN4O2/c1-27(2)11-10-26-20-9-8-16-21-18(20)14-17-15(6-5-7-19(17)25)22(21)24(31)29(23(16)30)13-12-28(3)4/h5-9,14,26H,10-13H2,1-4H3
InChIKeyIQCFWJIJLFBEFD-UHFFFAOYSA-N
MW438.96 g/mol
LogP3.78
Rot. Bonds7

About 6-chloro-15-[2-(dimethylamino)ethyl]-10-[2-(dimethylamino)ethylamino]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9,11,13(17)-heptaene-14,16-dione

6-chloro-15-[2-(dimethylamino)ethyl]-10-[2-(dimethylamino)ethylamino]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9,11,13(17)-heptaene-14,16-dione (PubChem CID 10551016) has the molecular formula C24H27ClN4O2 and a molecular weight of 438.96 g/mol. Its IUPAC name is 6-chloro-15-[2-(dimethylamino)ethyl]-10-[2-(dimethylamino)ethylamino]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9,11,13(17)-heptaene-14,16-dione.

Molecular Properties

Compound Name6-chloro-15-[2-(dimethylamino)ethyl]-10-[2-(dimethylamino)ethylamino]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9,11,13(17)-heptaene-14,16-dione
PubChem CID10551016
Molecular FormulaC24H27ClN4O2
Molecular Weight438.96 g/mol
Exact Mass438.18
IUPAC Name6-chloro-15-[2-(dimethylamino)ethyl]-10-[2-(dimethylamino)ethylamino]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9,11,13(17)-heptaene-14,16-dione
SMILESCN(C)CCNc1ccc2c3c(c4cccc(Cl)c4cc13)C(=O)N(CCN(C)C)C2=O
InChIInChI=1S/C24H27ClN4O2/c1-27(2)11-10-26-20-9-8-16-21-18(20)14-17-15(6-5-7-19(17)25)22(21)24(31)29(23(16)30)13-12-28(3)4/h5-9,14,26H,10-13H2,1-4H3
InChIKeyIQCFWJIJLFBEFD-UHFFFAOYSA-N
XLogP3.78
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.96
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-15-[2-(dimethylamino)ethyl]-10-[2-(dimethylamino)ethylamino]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9,11,13(17)-heptaene-14,16-dione?
The IUPAC name of 6-chloro-15-[2-(dimethylamino)ethyl]-10-[2-(dimethylamino)ethylamino]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9,11,13(17)-heptaene-14,16-dione (CID 10551016) is 6-chloro-15-[2-(dimethylamino)ethyl]-10-[2-(dimethylamino)ethylamino]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9,11,13(17)-heptaene-14,16-dione.
What is the SMILES notation for 6-chloro-15-[2-(dimethylamino)ethyl]-10-[2-(dimethylamino)ethylamino]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9,11,13(17)-heptaene-14,16-dione?
The canonical SMILES for 6-chloro-15-[2-(dimethylamino)ethyl]-10-[2-(dimethylamino)ethylamino]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9,11,13(17)-heptaene-14,16-dione is CN(C)CCNc1ccc2c3c(c4cccc(Cl)c4cc13)C(=O)N(CCN(C)C)C2=O.
What is the InChIKey of 6-chloro-15-[2-(dimethylamino)ethyl]-10-[2-(dimethylamino)ethylamino]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9,11,13(17)-heptaene-14,16-dione?
The InChIKey is IQCFWJIJLFBEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN4O2/c1-27(2)11-10-26-20-9-8-16-21-18(20)14-17-15(6-5-7-19(17)25)22(21)24(31)29(23(16)30)13-12-28(3)4/h5-9,14,26H,10-13H2,1-4H3.
What are the key properties of 6-chloro-15-[2-(dimethylamino)ethyl]-10-[2-(dimethylamino)ethylamino]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9,11,13(17)-heptaene-14,16-dione?
6-chloro-15-[2-(dimethylamino)ethyl]-10-[2-(dimethylamino)ethylamino]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9,11,13(17)-heptaene-14,16-dione has a molecular weight of 438.96 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-15-[2-(dimethylamino)ethyl]-10-[2-(dimethylamino)ethylamino]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9,11,13(17)-heptaene-14,16-dione is sourced from PubChem (CID 10551016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).