[10-[2-(diethylamino)ethylamino]-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] butanoate;[10-[2-(diethylamino)ethylamino]-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] hexanoate

C50H60N8O6 — CID 158360023

IUPAC[10-[2-(diethylamino)ethylamino]-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] butanoate;[10-[2-(diethylamino)ethylamino]-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] hexanoate
SMILESCCCC(=O)Oc1ccc2c(c1)c(=O)c1c(NCCN(CC)CC)ccc3ncn2c31.CCCCCC(=O)Oc1ccc2c(c1)c(=O)c1c(NCCN(CC)CC)ccc3ncn2c31
InChIInChI=1S/C26H32N4O3.C24H28N4O3/c1-4-7-8-9-23(31)33-18-10-13-22-19(16-18)26(32)24-20(27-14-15-29(5-2)6-3)11-12-21-25(24)30(22)17-28-21;1-4-7-21(29)31-16-8-11-20-17(14-16)24(30)22-18(25-12-13-27(5-2)6-3)9-10-19-23(22)28(20)15-26-19/h10-13,16-17,27H,4-9,14-15H2,1-3H3;8-11,14-15,25H,4-7,12-13H2,1-3H3
InChIKeyGTIWNJPJSNGRCF-UHFFFAOYSA-N
MW869.08 g/mol
LogP8.58
Rot. Bonds20

About [10-[2-(diethylamino)ethylamino]-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] butanoate;[10-[2-(diethylamino)ethylamino]-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] hexanoate

[10-[2-(diethylamino)ethylamino]-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] butanoate;[10-[2-(diethylamino)ethylamino]-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] hexanoate (PubChem CID 158360023) has the molecular formula C50H60N8O6 and a molecular weight of 869.08 g/mol. Its IUPAC name is [10-[2-(diethylamino)ethylamino]-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] butanoate;[10-[2-(diethylamino)ethylamino]-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] hexanoate.

Molecular Properties

Compound Name[10-[2-(diethylamino)ethylamino]-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] butanoate;[10-[2-(diethylamino)ethylamino]-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] hexanoate
PubChem CID158360023
Molecular FormulaC50H60N8O6
Molecular Weight869.08 g/mol
Exact Mass868.46
IUPAC Name[10-[2-(diethylamino)ethylamino]-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] butanoate;[10-[2-(diethylamino)ethylamino]-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] hexanoate
SMILESCCCC(=O)Oc1ccc2c(c1)c(=O)c1c(NCCN(CC)CC)ccc3ncn2c31.CCCCCC(=O)Oc1ccc2c(c1)c(=O)c1c(NCCN(CC)CC)ccc3ncn2c31
InChIInChI=1S/C26H32N4O3.C24H28N4O3/c1-4-7-8-9-23(31)33-18-10-13-22-19(16-18)26(32)24-20(27-14-15-29(5-2)6-3)11-12-21-25(24)30(22)17-28-21;1-4-7-21(29)31-16-8-11-20-17(14-16)24(30)22-18(25-12-13-27(5-2)6-3)9-10-19-23(22)28(20)15-26-19/h10-13,16-17,27H,4-9,14-15H2,1-3H3;8-11,14-15,25H,4-7,12-13H2,1-3H3
InChIKeyGTIWNJPJSNGRCF-UHFFFAOYSA-N
XLogP8.58
TPSA151.88 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds20
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500869.08
LogP ≤ 58.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze [10-[2-(diethylamino)ethylamino]-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] butanoate;[10-[2-(diethylamino)ethylamino]-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] hexanoate with MolForge

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Related Compounds

C 1311
CID 132127
5-((2-(dimethylamino)ethyl)amino)-8-hydroxy-6H-imidazo(4,5,1-de)acridin-6-one
CID 371510
5-{[2-(Dimethylamino)ethyl]amino}-8-Methoxy-6h-Imidazo[4,5,1-De]acridin-6-One
CID 11681568
5-((2-(Diethylamino)ethyl)amino)-10-methoxy-6H-imidazo[4,5,1-de]acridin-6-one
CID 378419
5-((3-Diethylamino)propyl)amino-8-hydroxy-6H-imidazo(4,5,1-de)acridin-6-one
CID 154480
10-[2-(Diethylamino)ethylamino]-5-methoxy-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one
CID 367850
WH2PZ15Ppn
CID 438550
10-[3-(Diethylamino)propylamino]-5-hydroxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;hydrochloride
CID 367851
10-[2-(Dimethylamino)ethylamino]-5-hydroxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;hydrochloride
CID 371509
10-[2-(Dimethylamino)ethylamino]-5-methoxy-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one
CID 15680107
10-[2-(Diethylamino)ethylamino]-5-hydroxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;hydrochloride
CID 438544
10-[3-(Dimethylamino)propylamino]-5-hydroxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one
CID 438546

Frequently Asked Questions

What is the IUPAC name of [10-[2-(diethylamino)ethylamino]-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] butanoate;[10-[2-(diethylamino)ethylamino]-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] hexanoate?
The IUPAC name of [10-[2-(diethylamino)ethylamino]-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] butanoate;[10-[2-(diethylamino)ethylamino]-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] hexanoate (CID 158360023) is [10-[2-(diethylamino)ethylamino]-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] butanoate;[10-[2-(diethylamino)ethylamino]-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] hexanoate.
What is the SMILES notation for [10-[2-(diethylamino)ethylamino]-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] butanoate;[10-[2-(diethylamino)ethylamino]-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] hexanoate?
The canonical SMILES for [10-[2-(diethylamino)ethylamino]-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] butanoate;[10-[2-(diethylamino)ethylamino]-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] hexanoate is CCCC(=O)Oc1ccc2c(c1)c(=O)c1c(NCCN(CC)CC)ccc3ncn2c31.CCCCCC(=O)Oc1ccc2c(c1)c(=O)c1c(NCCN(CC)CC)ccc3ncn2c31.
What is the InChIKey of [10-[2-(diethylamino)ethylamino]-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] butanoate;[10-[2-(diethylamino)ethylamino]-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] hexanoate?
The InChIKey is GTIWNJPJSNGRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O3.C24H28N4O3/c1-4-7-8-9-23(31)33-18-10-13-22-19(16-18)26(32)24-20(27-14-15-29(5-2)6-3)11-12-21-25(24)30(22)17-28-21;1-4-7-21(29)31-16-8-11-20-17(14-16)24(30)22-18(25-12-13-27(5-2)6-3)9-10-19-23(22)28(20)15-26-19/h10-13,16-17,27H,4-9,14-15H2,1-3H3;8-11,14-15,25H,4-7,12-13H2,1-3H3.
What are the key properties of [10-[2-(diethylamino)ethylamino]-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] butanoate;[10-[2-(diethylamino)ethylamino]-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] hexanoate?
[10-[2-(diethylamino)ethylamino]-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] butanoate;[10-[2-(diethylamino)ethylamino]-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] hexanoate has a molecular weight of 869.08 g/mol, XLogP of 8.58, 20 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for [10-[2-(diethylamino)ethylamino]-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] butanoate;[10-[2-(diethylamino)ethylamino]-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] hexanoate is sourced from PubChem (CID 158360023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).