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

C23H30N6O — CID 10454027

IUPAC10-[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
SMILESCN(C)CCNCc1nn2c3ccccc3c(=O)c3c(NCCN(C)C)ccc1c32
InChIInChI=1S/C23H30N6O/c1-27(2)13-11-24-15-19-16-9-10-18(25-12-14-28(3)4)21-22(16)29(26-19)20-8-6-5-7-17(20)23(21)30/h5-10,24-25H,11-15H2,1-4H3
InChIKeyMRPMEJHBODPYGL-UHFFFAOYSA-N
MW406.53 g/mol
LogP2.06
Rot. Bonds9

About 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

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 (PubChem CID 10454027) has the molecular formula C23H30N6O and a molecular weight of 406.53 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name10-[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
PubChem CID10454027
Molecular FormulaC23H30N6O
Molecular Weight406.53 g/mol
Exact Mass406.25
IUPAC Name10-[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
SMILESCN(C)CCNCc1nn2c3ccccc3c(=O)c3c(NCCN(C)C)ccc1c32
InChIInChI=1S/C23H30N6O/c1-27(2)13-11-24-15-19-16-9-10-18(25-12-14-28(3)4)21-22(16)29(26-19)20-8-6-5-7-17(20)23(21)30/h5-10,24-25H,11-15H2,1-4H3
InChIKeyMRPMEJHBODPYGL-UHFFFAOYSA-N
XLogP2.06
TPSA64.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN(C)CCNCc1nn2c3ccccc3c(=O)c3c(NCCN(C)C)ccc1c32.
What is the InChIKey of 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?
The InChIKey is MRPMEJHBODPYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O/c1-27(2)13-11-24-15-19-16-9-10-18(25-12-14-28(3)4)21-22(16)29(26-19)20-8-6-5-7-17(20)23(21)30/h5-10,24-25H,11-15H2,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 406.53 g/mol, XLogP of 2.06, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 10454027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).