2-[(E)-[(15-methyl-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-13-yl)hydrazinylidene]methyl]phenol

C22H16N4O2 — CID 135487346

IUPAC2-[(E)-[(15-methyl-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-13-yl)hydrazinylidene]methyl]phenol
SMILESCc1nc(N/N=C/c2ccccc2O)c2oc3ccc4ccccc4c3c2n1
InChIInChI=1S/C22H16N4O2/c1-13-24-20-19-16-8-4-2-6-14(16)10-11-18(19)28-21(20)22(25-13)26-23-12-15-7-3-5-9-17(15)27/h2-12,27H,1H3,(H,24,25,26)/b23-12+
InChIKeyGVOOWDPWYRFRRR-FSJBWODESA-N
MW368.40 g/mol
LogP4.99
Rot. Bonds3

About 2-[(E)-[(15-methyl-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-13-yl)hydrazinylidene]methyl]phenol

2-[(E)-[(15-methyl-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-13-yl)hydrazinylidene]methyl]phenol (PubChem CID 135487346) has the molecular formula C22H16N4O2 and a molecular weight of 368.40 g/mol. Its IUPAC name is 2-[(E)-[(15-methyl-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-13-yl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2-[(E)-[(15-methyl-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-13-yl)hydrazinylidene]methyl]phenol
PubChem CID135487346
Molecular FormulaC22H16N4O2
Molecular Weight368.40 g/mol
Exact Mass368.13
IUPAC Name2-[(E)-[(15-methyl-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-13-yl)hydrazinylidene]methyl]phenol
SMILESCc1nc(N/N=C/c2ccccc2O)c2oc3ccc4ccccc4c3c2n1
InChIInChI=1S/C22H16N4O2/c1-13-24-20-19-16-8-4-2-6-14(16)10-11-18(19)28-21(20)22(25-13)26-23-12-15-7-3-5-9-17(15)27/h2-12,27H,1H3,(H,24,25,26)/b23-12+
InChIKeyGVOOWDPWYRFRRR-FSJBWODESA-N
XLogP4.99
TPSA83.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[(E)-[(15-methyl-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-13-yl)hydrazinylidene]methyl]phenol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[(15-methyl-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-13-yl)hydrazinylidene]methyl]phenol?
The IUPAC name of 2-[(E)-[(15-methyl-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-13-yl)hydrazinylidene]methyl]phenol (CID 135487346) is 2-[(E)-[(15-methyl-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-13-yl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2-[(E)-[(15-methyl-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-13-yl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 2-[(E)-[(15-methyl-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-13-yl)hydrazinylidene]methyl]phenol is Cc1nc(N/N=C/c2ccccc2O)c2oc3ccc4ccccc4c3c2n1.
What is the InChIKey of 2-[(E)-[(15-methyl-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-13-yl)hydrazinylidene]methyl]phenol?
The InChIKey is GVOOWDPWYRFRRR-FSJBWODESA-N. The full InChI is InChI=1S/C22H16N4O2/c1-13-24-20-19-16-8-4-2-6-14(16)10-11-18(19)28-21(20)22(25-13)26-23-12-15-7-3-5-9-17(15)27/h2-12,27H,1H3,(H,24,25,26)/b23-12+.
What are the key properties of 2-[(E)-[(15-methyl-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-13-yl)hydrazinylidene]methyl]phenol?
2-[(E)-[(15-methyl-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-13-yl)hydrazinylidene]methyl]phenol has a molecular weight of 368.40 g/mol, XLogP of 4.99, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[(15-methyl-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-13-yl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135487346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).