10-[2-(dimethylamino)ethylamino]-14-[[2-(dimethylamino)ethylamino]methyl]-6-methoxy-1,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one

C24H32N6O2 — CID 10478193

IUPAC10-[2-(dimethylamino)ethylamino]-14-[[2-(dimethylamino)ethylamino]methyl]-6-methoxy-1,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one
SMILESCOc1cccc2c1c(=O)c1c(NCCN(C)C)ccc3c(CNCCN(C)C)nn2c31
InChIInChI=1S/C24H32N6O2/c1-28(2)13-11-25-15-18-16-9-10-17(26-12-14-29(3)4)21-23(16)30(27-18)19-7-6-8-20(32-5)22(19)24(21)31/h6-10,25-26H,11-15H2,1-5H3
InChIKeyOJBIPQUIAQFFSH-UHFFFAOYSA-N
MW436.56 g/mol
LogP2.07
Rot. Bonds10

About 10-[2-(dimethylamino)ethylamino]-14-[[2-(dimethylamino)ethylamino]methyl]-6-methoxy-1,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one

10-[2-(dimethylamino)ethylamino]-14-[[2-(dimethylamino)ethylamino]methyl]-6-methoxy-1,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one (PubChem CID 10478193) has the molecular formula C24H32N6O2 and a molecular weight of 436.56 g/mol. Its IUPAC name is 10-[2-(dimethylamino)ethylamino]-14-[[2-(dimethylamino)ethylamino]methyl]-6-methoxy-1,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one.

Molecular Properties

Compound Name10-[2-(dimethylamino)ethylamino]-14-[[2-(dimethylamino)ethylamino]methyl]-6-methoxy-1,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one
PubChem CID10478193
Molecular FormulaC24H32N6O2
Molecular Weight436.56 g/mol
Exact Mass436.26
IUPAC Name10-[2-(dimethylamino)ethylamino]-14-[[2-(dimethylamino)ethylamino]methyl]-6-methoxy-1,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one
SMILESCOc1cccc2c1c(=O)c1c(NCCN(C)C)ccc3c(CNCCN(C)C)nn2c31
InChIInChI=1S/C24H32N6O2/c1-28(2)13-11-25-15-18-16-9-10-17(26-12-14-29(3)4)21-23(16)30(27-18)19-7-6-8-20(32-5)22(19)24(21)31/h6-10,25-26H,11-15H2,1-5H3
InChIKeyOJBIPQUIAQFFSH-UHFFFAOYSA-N
XLogP2.07
TPSA74.14 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 10-[2-(dimethylamino)ethylamino]-14-[[2-(dimethylamino)ethylamino]methyl]-6-methoxy-1,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-[2-(dimethylamino)ethylamino]-14-[[2-(dimethylamino)ethylamino]methyl]-6-methoxy-1,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one?
The IUPAC name of 10-[2-(dimethylamino)ethylamino]-14-[[2-(dimethylamino)ethylamino]methyl]-6-methoxy-1,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one (CID 10478193) is 10-[2-(dimethylamino)ethylamino]-14-[[2-(dimethylamino)ethylamino]methyl]-6-methoxy-1,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one.
What is the SMILES notation for 10-[2-(dimethylamino)ethylamino]-14-[[2-(dimethylamino)ethylamino]methyl]-6-methoxy-1,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one?
The canonical SMILES for 10-[2-(dimethylamino)ethylamino]-14-[[2-(dimethylamino)ethylamino]methyl]-6-methoxy-1,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one is COc1cccc2c1c(=O)c1c(NCCN(C)C)ccc3c(CNCCN(C)C)nn2c31.
What is the InChIKey of 10-[2-(dimethylamino)ethylamino]-14-[[2-(dimethylamino)ethylamino]methyl]-6-methoxy-1,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one?
The InChIKey is OJBIPQUIAQFFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O2/c1-28(2)13-11-25-15-18-16-9-10-17(26-12-14-29(3)4)21-23(16)30(27-18)19-7-6-8-20(32-5)22(19)24(21)31/h6-10,25-26H,11-15H2,1-5H3.
What are the key properties of 10-[2-(dimethylamino)ethylamino]-14-[[2-(dimethylamino)ethylamino]methyl]-6-methoxy-1,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one?
10-[2-(dimethylamino)ethylamino]-14-[[2-(dimethylamino)ethylamino]methyl]-6-methoxy-1,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one has a molecular weight of 436.56 g/mol, XLogP of 2.07, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-(dimethylamino)ethylamino]-14-[[2-(dimethylamino)ethylamino]methyl]-6-methoxy-1,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one is sourced from PubChem (CID 10478193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).