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

C22H24N4O3 — CID 24784529

IUPAC5-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
SMILESCc1nc2ccc(NCCCN3CCOCC3)c3c(=O)c4cc(O)ccc4n1c23
InChIInChI=1S/C22H24N4O3/c1-14-24-18-5-4-17(23-7-2-8-25-9-11-29-12-10-25)20-21(18)26(14)19-6-3-15(27)13-16(19)22(20)28/h3-6,13,23,27H,2,7-12H2,1H3
InChIKeyVLXGYNYWUUWUCW-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.59
Rot. Bonds5

About 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

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 (PubChem CID 24784529) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-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
PubChem CID24784529
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name5-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
SMILESCc1nc2ccc(NCCCN3CCOCC3)c3c(=O)c4cc(O)ccc4n1c23
InChIInChI=1S/C22H24N4O3/c1-14-24-18-5-4-17(23-7-2-8-25-9-11-29-12-10-25)20-21(18)26(14)19-6-3-15(27)13-16(19)22(20)28/h3-6,13,23,27H,2,7-12H2,1H3
InChIKeyVLXGYNYWUUWUCW-UHFFFAOYSA-N
XLogP2.59
TPSA79.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nc2ccc(NCCCN3CCOCC3)c3c(=O)c4cc(O)ccc4n1c23.
What is the InChIKey of 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?
The InChIKey is VLXGYNYWUUWUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-14-24-18-5-4-17(23-7-2-8-25-9-11-29-12-10-25)20-21(18)26(14)19-6-3-15(27)13-16(19)22(20)28/h3-6,13,23,27H,2,7-12H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 392.46 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 24784529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).