10-[2-(diethylamino)ethylamino]-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaen-8-one;hydrochloride

C20H23ClN4O — CID 45259562

IUPAC10-[2-(diethylamino)ethylamino]-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaen-8-one;hydrochloride
SMILESCCN(CC)CCNc1ccc2[nH]nc3c2c1C(=O)c1ccccc1-3.Cl
InChIInChI=1S/C20H22N4O.ClH/c1-3-24(4-2)12-11-21-15-9-10-16-17-18(15)20(25)14-8-6-5-7-13(14)19(17)23-22-16;/h5-10,21H,3-4,11-12H2,1-2H3,(H,22,23);1H
InChIKeyJCLXHJKQDBWSDO-UHFFFAOYSA-N
MW370.88 g/mol
LogP3.95
Rot. Bonds6

About 10-[2-(diethylamino)ethylamino]-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaen-8-one;hydrochloride

10-[2-(diethylamino)ethylamino]-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaen-8-one;hydrochloride (PubChem CID 45259562) has the molecular formula C20H23ClN4O and a molecular weight of 370.88 g/mol. Its IUPAC name is 10-[2-(diethylamino)ethylamino]-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaen-8-one;hydrochloride.

Molecular Properties

Compound Name10-[2-(diethylamino)ethylamino]-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaen-8-one;hydrochloride
PubChem CID45259562
Molecular FormulaC20H23ClN4O
Molecular Weight370.88 g/mol
Exact Mass370.16
IUPAC Name10-[2-(diethylamino)ethylamino]-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaen-8-one;hydrochloride
SMILESCCN(CC)CCNc1ccc2[nH]nc3c2c1C(=O)c1ccccc1-3.Cl
InChIInChI=1S/C20H22N4O.ClH/c1-3-24(4-2)12-11-21-15-9-10-16-17-18(15)20(25)14-8-6-5-7-13(14)19(17)23-22-16;/h5-10,21H,3-4,11-12H2,1-2H3,(H,22,23);1H
InChIKeyJCLXHJKQDBWSDO-UHFFFAOYSA-N
XLogP3.95
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 10-[2-(diethylamino)ethylamino]-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaen-8-one;hydrochloride with MolForge

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Related Compounds

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14-(2-Aminoethyl)-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-8-one
CID 46907250
10-[2-(2-Hydroxyethylamino)ethylamino]-14-[2-(hydroxymethylamino)ethyl]-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaen-8-one
CID 44274888
10-(2-Aminoethylamino)-14-[2-(diethylamino)ethyl]-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaen-8-one;hydrochloride
CID 45259559
14-[2-(Diethylamino)ethyl]-10-[7-(diethylamino)heptylamino]-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaen-8-one;hydrochloride
CID 45259561
10-[2-(Diethylamino)ethylamino]-14-methyl-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaen-8-one;hydrochloride
CID 45259568
14-[2-(2-Hydroxyethylamino)ethyl]-10-(methylamino)-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaen-8-one;hydrochloride
CID 45259579
14-[2-(2-Hydroxyethylamino)ethyl]-6-[2-(2-hydroxyethylamino)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 45259585

Frequently Asked Questions

What is the IUPAC name of 10-[2-(diethylamino)ethylamino]-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaen-8-one;hydrochloride?
The IUPAC name of 10-[2-(diethylamino)ethylamino]-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaen-8-one;hydrochloride (CID 45259562) is 10-[2-(diethylamino)ethylamino]-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaen-8-one;hydrochloride.
What is the SMILES notation for 10-[2-(diethylamino)ethylamino]-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaen-8-one;hydrochloride?
The canonical SMILES for 10-[2-(diethylamino)ethylamino]-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaen-8-one;hydrochloride is CCN(CC)CCNc1ccc2[nH]nc3c2c1C(=O)c1ccccc1-3.Cl.
What is the InChIKey of 10-[2-(diethylamino)ethylamino]-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaen-8-one;hydrochloride?
The InChIKey is JCLXHJKQDBWSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O.ClH/c1-3-24(4-2)12-11-21-15-9-10-16-17-18(15)20(25)14-8-6-5-7-13(14)19(17)23-22-16;/h5-10,21H,3-4,11-12H2,1-2H3,(H,22,23);1H.
What are the key properties of 10-[2-(diethylamino)ethylamino]-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaen-8-one;hydrochloride?
10-[2-(diethylamino)ethylamino]-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaen-8-one;hydrochloride has a molecular weight of 370.88 g/mol, XLogP of 3.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-(diethylamino)ethylamino]-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaen-8-one;hydrochloride is sourced from PubChem (CID 45259562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).