6-(5-chloro-2-hydroxyphenyl)-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione

C20H12ClNO3 — CID 23938408

IUPAC6-(5-chloro-2-hydroxyphenyl)-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione
SMILESO=C1c2ccc3c4c(ccc(c24)C(=O)N1c1cc(Cl)ccc1O)CC3
InChIInChI=1S/C20H12ClNO3/c21-12-5-8-16(23)15(9-12)22-19(24)13-6-3-10-1-2-11-4-7-14(20(22)25)18(13)17(10)11/h3-9,23H,1-2H2
InChIKeyPQQHEVRCTKWMOA-UHFFFAOYSA-N
MW349.77 g/mol
LogP4.10
Rot. Bonds1

About 6-(5-chloro-2-hydroxyphenyl)-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione

6-(5-chloro-2-hydroxyphenyl)-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione (PubChem CID 23938408) has the molecular formula C20H12ClNO3 and a molecular weight of 349.77 g/mol. Its IUPAC name is 6-(5-chloro-2-hydroxyphenyl)-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione.

Molecular Properties

Compound Name6-(5-chloro-2-hydroxyphenyl)-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione
PubChem CID23938408
Molecular FormulaC20H12ClNO3
Molecular Weight349.77 g/mol
Exact Mass349.05
IUPAC Name6-(5-chloro-2-hydroxyphenyl)-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione
SMILESO=C1c2ccc3c4c(ccc(c24)C(=O)N1c1cc(Cl)ccc1O)CC3
InChIInChI=1S/C20H12ClNO3/c21-12-5-8-16(23)15(9-12)22-19(24)13-6-3-10-1-2-11-4-7-14(20(22)25)18(13)17(10)11/h3-9,23H,1-2H2
InChIKeyPQQHEVRCTKWMOA-UHFFFAOYSA-N
XLogP4.10
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.77
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-(5-chloro-2-hydroxyphenyl)-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-2-hydroxyphenyl)-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione?
The IUPAC name of 6-(5-chloro-2-hydroxyphenyl)-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione (CID 23938408) is 6-(5-chloro-2-hydroxyphenyl)-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione.
What is the SMILES notation for 6-(5-chloro-2-hydroxyphenyl)-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione?
The canonical SMILES for 6-(5-chloro-2-hydroxyphenyl)-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione is O=C1c2ccc3c4c(ccc(c24)C(=O)N1c1cc(Cl)ccc1O)CC3.
What is the InChIKey of 6-(5-chloro-2-hydroxyphenyl)-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione?
The InChIKey is PQQHEVRCTKWMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12ClNO3/c21-12-5-8-16(23)15(9-12)22-19(24)13-6-3-10-1-2-11-4-7-14(20(22)25)18(13)17(10)11/h3-9,23H,1-2H2.
What are the key properties of 6-(5-chloro-2-hydroxyphenyl)-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione?
6-(5-chloro-2-hydroxyphenyl)-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione has a molecular weight of 349.77 g/mol, XLogP of 4.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chloro-2-hydroxyphenyl)-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione is sourced from PubChem (CID 23938408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).