5-hydroxy-10-(2-morpholin-4-ylethylamino)-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one

C20H20N4O3 — CID 23729165

IUPAC5-hydroxy-10-(2-morpholin-4-ylethylamino)-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one
SMILESO=c1c2cc(O)ccc2n2cnc3ccc(NCCN4CCOCC4)c1c32
InChIInChI=1S/C20H20N4O3/c25-13-1-4-17-14(11-13)20(26)18-15(2-3-16-19(18)24(17)12-22-16)21-5-6-23-7-9-27-10-8-23/h1-4,11-12,21,25H,5-10H2
InChIKeyHSKAJLPRNBADMX-UHFFFAOYSA-N
MW364.41 g/mol
LogP1.89
Rot. Bonds4

About 5-hydroxy-10-(2-morpholin-4-ylethylamino)-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one

5-hydroxy-10-(2-morpholin-4-ylethylamino)-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one (PubChem CID 23729165) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 5-hydroxy-10-(2-morpholin-4-ylethylamino)-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one.

Molecular Properties

Compound Name5-hydroxy-10-(2-morpholin-4-ylethylamino)-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one
PubChem CID23729165
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name5-hydroxy-10-(2-morpholin-4-ylethylamino)-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one
SMILESO=c1c2cc(O)ccc2n2cnc3ccc(NCCN4CCOCC4)c1c32
InChIInChI=1S/C20H20N4O3/c25-13-1-4-17-14(11-13)20(26)18-15(2-3-16-19(18)24(17)12-22-16)21-5-6-23-7-9-27-10-8-23/h1-4,11-12,21,25H,5-10H2
InChIKeyHSKAJLPRNBADMX-UHFFFAOYSA-N
XLogP1.89
TPSA79.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-hydroxy-10-(2-morpholin-4-ylethylamino)-1,14-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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Related Compounds

5-hydroxy-15-methyl-10-(3-morpholin-4-ylpropylamino)-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one
CID 24784529
10-[3-[4-(3-aminopropyl)piperazin-1-yl]propylamino]-5-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 23655119
10-[3-(diethylamino)propylamino]-5-methoxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one
CID 15680109
2-(2-morpholin-4-ylethylamino)-1,3-benzoxazol-6-ol
CID 142742784
4-chloro-2-fluoro-N-(2-morpholin-4-ylethyl)aniline
CID 60679405
2-chloro-1-N-(2-morpholin-4-ylethyl)benzene-1,4-diamine
CID 28904413
5-formyl-2-(2-morpholin-4-ylethylamino)benzonitrile
CID 173164163
4-bromo-2,3-dichloro-N-(2-morpholin-4-ylethyl)aniline
CID 107789141
3-methyl-5-N-(2-morpholin-4-ylethyl)isoquinoline-5,8-diamine
CID 102712947
6-bromo-N-(2-morpholin-4-ylethyl)quinazolin-4-amine
CID 728957
methanesulfonic acid;2-[3-[4-[3-[(6-methyl-8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-10-yl)amino]propyl]piperazin-1-yl]propyl]-5-nitrobenzo[de]isoquinoline-1,3-dione
CID 46877414
N-(2,4-difluorophenyl)-5-(2-morpholin-4-ylethylamino)pyridine-2-carboxamide
CID 109185897

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-10-(2-morpholin-4-ylethylamino)-1,14-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 5-hydroxy-10-(2-morpholin-4-ylethylamino)-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one (CID 23729165) is 5-hydroxy-10-(2-morpholin-4-ylethylamino)-1,14-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 5-hydroxy-10-(2-morpholin-4-ylethylamino)-1,14-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 5-hydroxy-10-(2-morpholin-4-ylethylamino)-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one is O=c1c2cc(O)ccc2n2cnc3ccc(NCCN4CCOCC4)c1c32.
What is the InChIKey of 5-hydroxy-10-(2-morpholin-4-ylethylamino)-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one?
The InChIKey is HSKAJLPRNBADMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c25-13-1-4-17-14(11-13)20(26)18-15(2-3-16-19(18)24(17)12-22-16)21-5-6-23-7-9-27-10-8-23/h1-4,11-12,21,25H,5-10H2.
What are the key properties of 5-hydroxy-10-(2-morpholin-4-ylethylamino)-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one?
5-hydroxy-10-(2-morpholin-4-ylethylamino)-1,14-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 364.41 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-10-(2-morpholin-4-ylethylamino)-1,14-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 23729165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).