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

C22H14N2O2 — CID 162293939

IUPAC7-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
SMILESO=C1CCc2c1c1c3cc(O)ccc3[nH]c1c1ncc3ccccc3c21
InChIInChI=1S/C22H14N2O2/c25-12-5-7-16-15(9-12)20-19-14(6-8-17(19)26)18-13-4-2-1-3-11(13)10-23-21(18)22(20)24-16/h1-5,7,9-10,24-25H,6,8H2
InChIKeyAVGNQFDBIKBDGS-UHFFFAOYSA-N
MW338.37 g/mol
LogP4.86
Rot. Bonds

About 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

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 (PubChem CID 162293939) has the molecular formula C22H14N2O2 and a molecular weight of 338.37 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-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
PubChem CID162293939
Molecular FormulaC22H14N2O2
Molecular Weight338.37 g/mol
Exact Mass338.11
IUPAC Name7-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
SMILESO=C1CCc2c1c1c3cc(O)ccc3[nH]c1c1ncc3ccccc3c21
InChIInChI=1S/C22H14N2O2/c25-12-5-7-16-15(9-12)20-19-14(6-8-17(19)26)18-13-4-2-1-3-11(13)10-23-21(18)22(20)24-16/h1-5,7,9-10,24-25H,6,8H2
InChIKeyAVGNQFDBIKBDGS-UHFFFAOYSA-N
XLogP4.86
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

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
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
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
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
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
9-hydroxy-5-methyl-4-phenyl-6H-pyrrolo[3,4-c]carbazole-1,3-dione
CID 11844346
8-(difluoromethoxy)-11H-indolo[3,2-c]isoquinoline
CID 178012555
7,8,9,10-tetrahydrobenzo[c]carbazol-11-one
CID 134907120
3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4(9),5,7,11(15),12,17(22),18,20-decaene-7,19-diol
CID 57061603
4-(2-bromophenyl)-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione
CID 10386664
9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione
CID 11844342
1-bromo-3H-benzo[c][1,7]naphthyridin-4-one
CID 139599899

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C1CCc2c1c1c3cc(O)ccc3[nH]c1c1ncc3ccccc3c21.
What is the InChIKey of 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?
The InChIKey is AVGNQFDBIKBDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N2O2/c25-12-5-7-16-15(9-12)20-19-14(6-8-17(19)26)18-13-4-2-1-3-11(13)10-23-21(18)22(20)24-16/h1-5,7,9-10,24-25H,6,8H2.
What are the key properties of 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?
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 has a molecular weight of 338.37 g/mol, XLogP of 4.86, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162293939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).