14-[2-(diethylamino)ethyl]-4-hydroxy-10-[2-(2-hydroxyethylamino)ethylamino]-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-8-one

C24H31N5O3 — CID 10252547

IUPAC14-[2-(diethylamino)ethyl]-4-hydroxy-10-[2-(2-hydroxyethylamino)ethylamino]-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-8-one
SMILESCCN(CC)CCn1nc2c3c(c(NCCNCCO)ccc31)C(=O)c1ccc(O)cc1-2
InChIInChI=1S/C24H31N5O3/c1-3-28(4-2)12-13-29-20-8-7-19(26-10-9-25-11-14-30)21-22(20)23(27-29)18-15-16(31)5-6-17(18)24(21)32/h5-8,15,25-26,30-31H,3-4,9-14H2,1-2H3
InChIKeyVBONXXLEKGMKIJ-UHFFFAOYSA-N
MW437.54 g/mol
LogP2.29
Rot. Bonds11

About 14-[2-(diethylamino)ethyl]-4-hydroxy-10-[2-(2-hydroxyethylamino)ethylamino]-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-8-one

14-[2-(diethylamino)ethyl]-4-hydroxy-10-[2-(2-hydroxyethylamino)ethylamino]-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-8-one (PubChem CID 10252547) has the molecular formula C24H31N5O3 and a molecular weight of 437.54 g/mol. Its IUPAC name is 14-[2-(diethylamino)ethyl]-4-hydroxy-10-[2-(2-hydroxyethylamino)ethylamino]-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-8-one.

Molecular Properties

Compound Name14-[2-(diethylamino)ethyl]-4-hydroxy-10-[2-(2-hydroxyethylamino)ethylamino]-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-8-one
PubChem CID10252547
Molecular FormulaC24H31N5O3
Molecular Weight437.54 g/mol
Exact Mass437.24
IUPAC Name14-[2-(diethylamino)ethyl]-4-hydroxy-10-[2-(2-hydroxyethylamino)ethylamino]-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-8-one
SMILESCCN(CC)CCn1nc2c3c(c(NCCNCCO)ccc31)C(=O)c1ccc(O)cc1-2
InChIInChI=1S/C24H31N5O3/c1-3-28(4-2)12-13-29-20-8-7-19(26-10-9-25-11-14-30)21-22(20)23(27-29)18-15-16(31)5-6-17(18)24(21)32/h5-8,15,25-26,30-31H,3-4,9-14H2,1-2H3
InChIKeyVBONXXLEKGMKIJ-UHFFFAOYSA-N
XLogP2.29
TPSA102.65 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 52.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 14-[2-(diethylamino)ethyl]-4-hydroxy-10-[2-(2-hydroxyethylamino)ethylamino]-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-8-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 14-[2-(diethylamino)ethyl]-4-hydroxy-10-[2-(2-hydroxyethylamino)ethylamino]-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-8-one?
The IUPAC name of 14-[2-(diethylamino)ethyl]-4-hydroxy-10-[2-(2-hydroxyethylamino)ethylamino]-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-8-one (CID 10252547) is 14-[2-(diethylamino)ethyl]-4-hydroxy-10-[2-(2-hydroxyethylamino)ethylamino]-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-8-one.
What is the SMILES notation for 14-[2-(diethylamino)ethyl]-4-hydroxy-10-[2-(2-hydroxyethylamino)ethylamino]-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-8-one?
The canonical SMILES for 14-[2-(diethylamino)ethyl]-4-hydroxy-10-[2-(2-hydroxyethylamino)ethylamino]-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-8-one is CCN(CC)CCn1nc2c3c(c(NCCNCCO)ccc31)C(=O)c1ccc(O)cc1-2.
What is the InChIKey of 14-[2-(diethylamino)ethyl]-4-hydroxy-10-[2-(2-hydroxyethylamino)ethylamino]-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-8-one?
The InChIKey is VBONXXLEKGMKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O3/c1-3-28(4-2)12-13-29-20-8-7-19(26-10-9-25-11-14-30)21-22(20)23(27-29)18-15-16(31)5-6-17(18)24(21)32/h5-8,15,25-26,30-31H,3-4,9-14H2,1-2H3.
What are the key properties of 14-[2-(diethylamino)ethyl]-4-hydroxy-10-[2-(2-hydroxyethylamino)ethylamino]-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-8-one?
14-[2-(diethylamino)ethyl]-4-hydroxy-10-[2-(2-hydroxyethylamino)ethylamino]-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-8-one has a molecular weight of 437.54 g/mol, XLogP of 2.29, 11 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 14-[2-(diethylamino)ethyl]-4-hydroxy-10-[2-(2-hydroxyethylamino)ethylamino]-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-8-one is sourced from PubChem (CID 10252547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).