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

C26H34ClN5O2 — CID 45264034

IUPAC14-[2-(diethylamino)ethyl]-10-(2-morpholin-4-ylethylamino)-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)CCn1nc2c3c(c(NCCN4CCOCC4)ccc31)C(=O)c1ccccc1-2.Cl
InChIInChI=1S/C26H33N5O2.ClH/c1-3-29(4-2)13-14-31-22-10-9-21(27-11-12-30-15-17-33-18-16-30)23-24(22)25(28-31)19-7-5-6-8-20(19)26(23)32;/h5-10,27H,3-4,11-18H2,1-2H3;1H
InChIKeyDOYOBPSTGNVABU-UHFFFAOYSA-N
MW484.04 g/mol
LogP3.76
Rot. Bonds9

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

14-[2-(diethylamino)ethyl]-10-(2-morpholin-4-ylethylamino)-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 45264034) has the molecular formula C26H34ClN5O2 and a molecular weight of 484.04 g/mol. Its IUPAC name is 14-[2-(diethylamino)ethyl]-10-(2-morpholin-4-ylethylamino)-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 Name14-[2-(diethylamino)ethyl]-10-(2-morpholin-4-ylethylamino)-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 CID45264034
Molecular FormulaC26H34ClN5O2
Molecular Weight484.04 g/mol
Exact Mass483.24
IUPAC Name14-[2-(diethylamino)ethyl]-10-(2-morpholin-4-ylethylamino)-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)CCn1nc2c3c(c(NCCN4CCOCC4)ccc31)C(=O)c1ccccc1-2.Cl
InChIInChI=1S/C26H33N5O2.ClH/c1-3-29(4-2)13-14-31-22-10-9-21(27-11-12-30-15-17-33-18-16-30)23-24(22)25(28-31)19-7-5-6-8-20(19)26(23)32;/h5-10,27H,3-4,11-18H2,1-2H3;1H
InChIKeyDOYOBPSTGNVABU-UHFFFAOYSA-N
XLogP3.76
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.04
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 14-[2-(diethylamino)ethyl]-10-(2-morpholin-4-ylethylamino)-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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Frequently Asked Questions

What is the IUPAC name of 14-[2-(diethylamino)ethyl]-10-(2-morpholin-4-ylethylamino)-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 14-[2-(diethylamino)ethyl]-10-(2-morpholin-4-ylethylamino)-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 45264034) is 14-[2-(diethylamino)ethyl]-10-(2-morpholin-4-ylethylamino)-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 14-[2-(diethylamino)ethyl]-10-(2-morpholin-4-ylethylamino)-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 14-[2-(diethylamino)ethyl]-10-(2-morpholin-4-ylethylamino)-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)CCn1nc2c3c(c(NCCN4CCOCC4)ccc31)C(=O)c1ccccc1-2.Cl.
What is the InChIKey of 14-[2-(diethylamino)ethyl]-10-(2-morpholin-4-ylethylamino)-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 DOYOBPSTGNVABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O2.ClH/c1-3-29(4-2)13-14-31-22-10-9-21(27-11-12-30-15-17-33-18-16-30)23-24(22)25(28-31)19-7-5-6-8-20(19)26(23)32;/h5-10,27H,3-4,11-18H2,1-2H3;1H.
What are the key properties of 14-[2-(diethylamino)ethyl]-10-(2-morpholin-4-ylethylamino)-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaen-8-one;hydrochloride?
14-[2-(diethylamino)ethyl]-10-(2-morpholin-4-ylethylamino)-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 484.04 g/mol, XLogP of 3.76, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 14-[2-(diethylamino)ethyl]-10-(2-morpholin-4-ylethylamino)-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 45264034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).