14-[2-(diethylamino)ethyl]-6-[2-(diethylamino)ethylamino]-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9(16),10,12-heptaen-8-one;hydrochloride

C26H36ClN5O — CID 45259593

IUPAC14-[2-(diethylamino)ethyl]-6-[2-(diethylamino)ethylamino]-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9(16),10,12-heptaen-8-one;hydrochloride
SMILESCCN(CC)CCNc1cccc2c1C(=O)c1cccc3c1c-2nn3CCN(CC)CC.Cl
InChIInChI=1S/C26H35N5O.ClH/c1-5-29(6-2)16-15-27-21-13-9-11-19-23(21)26(32)20-12-10-14-22-24(20)25(19)28-31(22)18-17-30(7-3)8-4;/h9-14,27H,5-8,15-18H2,1-4H3;1H
InChIKeyHJXPAUUEAGIDIX-UHFFFAOYSA-N
MW470.06 g/mol
LogP4.76
Rot. Bonds11

About 14-[2-(diethylamino)ethyl]-6-[2-(diethylamino)ethylamino]-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9(16),10,12-heptaen-8-one;hydrochloride

14-[2-(diethylamino)ethyl]-6-[2-(diethylamino)ethylamino]-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9(16),10,12-heptaen-8-one;hydrochloride (PubChem CID 45259593) has the molecular formula C26H36ClN5O and a molecular weight of 470.06 g/mol. Its IUPAC name is 14-[2-(diethylamino)ethyl]-6-[2-(diethylamino)ethylamino]-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9(16),10,12-heptaen-8-one;hydrochloride.

Molecular Properties

Compound Name14-[2-(diethylamino)ethyl]-6-[2-(diethylamino)ethylamino]-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9(16),10,12-heptaen-8-one;hydrochloride
PubChem CID45259593
Molecular FormulaC26H36ClN5O
Molecular Weight470.06 g/mol
Exact Mass469.26
IUPAC Name14-[2-(diethylamino)ethyl]-6-[2-(diethylamino)ethylamino]-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9(16),10,12-heptaen-8-one;hydrochloride
SMILESCCN(CC)CCNc1cccc2c1C(=O)c1cccc3c1c-2nn3CCN(CC)CC.Cl
InChIInChI=1S/C26H35N5O.ClH/c1-5-29(6-2)16-15-27-21-13-9-11-19-23(21)26(32)20-12-10-14-22-24(20)25(19)28-31(22)18-17-30(7-3)8-4;/h9-14,27H,5-8,15-18H2,1-4H3;1H
InChIKeyHJXPAUUEAGIDIX-UHFFFAOYSA-N
XLogP4.76
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.06
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}

Analyze 14-[2-(diethylamino)ethyl]-6-[2-(diethylamino)ethylamino]-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9(16),10,12-heptaen-8-one;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 14-[2-(diethylamino)ethyl]-6-[2-(diethylamino)ethylamino]-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9(16),10,12-heptaen-8-one;hydrochloride?
The IUPAC name of 14-[2-(diethylamino)ethyl]-6-[2-(diethylamino)ethylamino]-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9(16),10,12-heptaen-8-one;hydrochloride (CID 45259593) is 14-[2-(diethylamino)ethyl]-6-[2-(diethylamino)ethylamino]-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9(16),10,12-heptaen-8-one;hydrochloride.
What is the SMILES notation for 14-[2-(diethylamino)ethyl]-6-[2-(diethylamino)ethylamino]-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9(16),10,12-heptaen-8-one;hydrochloride?
The canonical SMILES for 14-[2-(diethylamino)ethyl]-6-[2-(diethylamino)ethylamino]-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9(16),10,12-heptaen-8-one;hydrochloride is CCN(CC)CCNc1cccc2c1C(=O)c1cccc3c1c-2nn3CCN(CC)CC.Cl.
What is the InChIKey of 14-[2-(diethylamino)ethyl]-6-[2-(diethylamino)ethylamino]-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9(16),10,12-heptaen-8-one;hydrochloride?
The InChIKey is HJXPAUUEAGIDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O.ClH/c1-5-29(6-2)16-15-27-21-13-9-11-19-23(21)26(32)20-12-10-14-22-24(20)25(19)28-31(22)18-17-30(7-3)8-4;/h9-14,27H,5-8,15-18H2,1-4H3;1H.
What are the key properties of 14-[2-(diethylamino)ethyl]-6-[2-(diethylamino)ethylamino]-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9(16),10,12-heptaen-8-one;hydrochloride?
14-[2-(diethylamino)ethyl]-6-[2-(diethylamino)ethylamino]-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9(16),10,12-heptaen-8-one;hydrochloride has a molecular weight of 470.06 g/mol, XLogP of 4.76, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 14-[2-(diethylamino)ethyl]-6-[2-(diethylamino)ethylamino]-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9(16),10,12-heptaen-8-one;hydrochloride is sourced from PubChem (CID 45259593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).