13-chloro-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene-8,9-dione

C15H7ClN2O2 — CID 19610848

IUPAC13-chloro-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene-8,9-dione
SMILESO=C1C(=O)c2c(nc3ccc(Cl)cn23)-c2ccccc21
InChIInChI=1S/C15H7ClN2O2/c16-8-5-6-11-17-12-9-3-1-2-4-10(9)14(19)15(20)13(12)18(11)7-8/h1-7H
InChIKeyVZYGUWNBWRRBMX-UHFFFAOYSA-N
MW282.69 g/mol
LogP3.03
Rot. Bonds

About 13-chloro-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene-8,9-dione

13-chloro-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene-8,9-dione (PubChem CID 19610848) has the molecular formula C15H7ClN2O2 and a molecular weight of 282.69 g/mol. Its IUPAC name is 13-chloro-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene-8,9-dione.

Molecular Properties

Compound Name13-chloro-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene-8,9-dione
PubChem CID19610848
Molecular FormulaC15H7ClN2O2
Molecular Weight282.69 g/mol
Exact Mass282.02
IUPAC Name13-chloro-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene-8,9-dione
SMILESO=C1C(=O)c2c(nc3ccc(Cl)cn23)-c2ccccc21
InChIInChI=1S/C15H7ClN2O2/c16-8-5-6-11-17-12-9-3-1-2-4-10(9)14(19)15(20)13(12)18(11)7-8/h1-7H
InChIKeyVZYGUWNBWRRBMX-UHFFFAOYSA-N
XLogP3.03
TPSA51.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.69
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 13-chloro-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene-8,9-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 13-chloro-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene-8,9-dione?
The IUPAC name of 13-chloro-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene-8,9-dione (CID 19610848) is 13-chloro-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene-8,9-dione.
What is the SMILES notation for 13-chloro-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene-8,9-dione?
The canonical SMILES for 13-chloro-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene-8,9-dione is O=C1C(=O)c2c(nc3ccc(Cl)cn23)-c2ccccc21.
What is the InChIKey of 13-chloro-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene-8,9-dione?
The InChIKey is VZYGUWNBWRRBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7ClN2O2/c16-8-5-6-11-17-12-9-3-1-2-4-10(9)14(19)15(20)13(12)18(11)7-8/h1-7H.
What are the key properties of 13-chloro-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene-8,9-dione?
13-chloro-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene-8,9-dione has a molecular weight of 282.69 g/mol, XLogP of 3.03, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 13-chloro-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene-8,9-dione is sourced from PubChem (CID 19610848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).