6,19-dihydroxy-13-oxa-3,23-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione

C20H10N2O5 — CID 10926420

IUPAC6,19-dihydroxy-13-oxa-3,23-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione
SMILESO=C1OC(=O)c2c1c1c3ccc(O)cc3[nH]c1c1[nH]c3ccc(O)cc3c21
InChIInChI=1S/C20H10N2O5/c23-7-2-4-11-10(5-7)14-16-15(19(25)27-20(16)26)13-9-3-1-8(24)6-12(9)22-17(13)18(14)21-11/h1-6,21-24H
InChIKeyILNKNYUQONGQIC-UHFFFAOYSA-N
MW358.31 g/mol
LogP3.68
Rot. Bonds

About 6,19-dihydroxy-13-oxa-3,23-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione

6,19-dihydroxy-13-oxa-3,23-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione (PubChem CID 10926420) has the molecular formula C20H10N2O5 and a molecular weight of 358.31 g/mol. Its IUPAC name is 6,19-dihydroxy-13-oxa-3,23-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione.

Molecular Properties

Compound Name6,19-dihydroxy-13-oxa-3,23-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione
PubChem CID10926420
Molecular FormulaC20H10N2O5
Molecular Weight358.31 g/mol
Exact Mass358.06
IUPAC Name6,19-dihydroxy-13-oxa-3,23-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione
SMILESO=C1OC(=O)c2c1c1c3ccc(O)cc3[nH]c1c1[nH]c3ccc(O)cc3c21
InChIInChI=1S/C20H10N2O5/c23-7-2-4-11-10(5-7)14-16-15(19(25)27-20(16)26)13-9-3-1-8(24)6-12(9)22-17(13)18(14)21-11/h1-6,21-24H
InChIKeyILNKNYUQONGQIC-UHFFFAOYSA-N
XLogP3.68
TPSA115.41 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.31
LogP ≤ 53.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 6,19-dihydroxy-13-oxa-3,23-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione with MolForge

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Related Compounds

6-hydroxy-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17,19,21-nonaene-12,14-dione
CID 11782794
19-hydroxy-13-methyl-3,7,13,23-tetrazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione
CID 44576327
9-hydroxy-5-methyl-4-phenyl-6H-pyrrolo[3,4-c]carbazole-1,3-dione
CID 11844346
3,6-dihydroxy-10H-acridin-9-one
CID 14086995
4-[6-(4-cyanophenyl)-2,8-dihydroxy-5,11-dihydroindolo[3,2-b]carbazol-12-yl]benzonitrile
CID 174178952
14-hydroxy-8-(2-methylphenyl)-4,7,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11(16),12,14-hexaene-3,5-dione
CID 10521308
CID 70460275
CID 70460275
9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione
CID 11844342
13-(1,3-dihydroxypropan-2-yl)-7-hydroxy-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1(24),2(10),4(9),5,7,11(15),16,18,20,22-decaene-12,14-dione
CID 11166203
7-hydroxy-1-methyl-2,9-dihydropyrido[3,4-b]indol-3-one
CID 115028648
2-methyl-9H-carbazole-1,6-diol
CID 171715126
7-hydroxy-3,24-diazahexacyclo[14.8.0.02,10.04,9.011,15.017,22]tetracosa-1,4(9),5,7,10,15,17,19,21,23-decaen-12-one
CID 162293939

Frequently Asked Questions

What is the IUPAC name of 6,19-dihydroxy-13-oxa-3,23-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione?
The IUPAC name of 6,19-dihydroxy-13-oxa-3,23-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione (CID 10926420) is 6,19-dihydroxy-13-oxa-3,23-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione.
What is the SMILES notation for 6,19-dihydroxy-13-oxa-3,23-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione?
The canonical SMILES for 6,19-dihydroxy-13-oxa-3,23-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione is O=C1OC(=O)c2c1c1c3ccc(O)cc3[nH]c1c1[nH]c3ccc(O)cc3c21.
What is the InChIKey of 6,19-dihydroxy-13-oxa-3,23-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione?
The InChIKey is ILNKNYUQONGQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10N2O5/c23-7-2-4-11-10(5-7)14-16-15(19(25)27-20(16)26)13-9-3-1-8(24)6-12(9)22-17(13)18(14)21-11/h1-6,21-24H.
What are the key properties of 6,19-dihydroxy-13-oxa-3,23-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione?
6,19-dihydroxy-13-oxa-3,23-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione has a molecular weight of 358.31 g/mol, XLogP of 3.68, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,19-dihydroxy-13-oxa-3,23-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione is sourced from PubChem (CID 10926420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).