10,16-dichloro-14-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-8,15-dione

C17H9Cl2NO2 — CID 824422

IUPAC10,16-dichloro-14-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-8,15-dione
SMILESCn1c(=O)c(Cl)c2c3c(c(Cl)ccc31)C(=O)c1ccccc1-2
InChIInChI=1S/C17H9Cl2NO2/c1-20-11-7-6-10(18)13-14(11)12(15(19)17(20)22)8-4-2-3-5-9(8)16(13)21/h2-7H,1H3
InChIKeySOOXQTPPXQQCPA-UHFFFAOYSA-N
MW330.17 g/mol
LogP4.06
Rot. Bonds

About 10,16-dichloro-14-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-8,15-dione

10,16-dichloro-14-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-8,15-dione (PubChem CID 824422) has the molecular formula C17H9Cl2NO2 and a molecular weight of 330.17 g/mol. Its IUPAC name is 10,16-dichloro-14-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-8,15-dione.

Molecular Properties

Compound Name10,16-dichloro-14-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-8,15-dione
PubChem CID824422
Molecular FormulaC17H9Cl2NO2
Molecular Weight330.17 g/mol
Exact Mass329.00
IUPAC Name10,16-dichloro-14-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-8,15-dione
SMILESCn1c(=O)c(Cl)c2c3c(c(Cl)ccc31)C(=O)c1ccccc1-2
InChIInChI=1S/C17H9Cl2NO2/c1-20-11-7-6-10(18)13-14(11)12(15(19)17(20)22)8-4-2-3-5-9(8)16(13)21/h2-7H,1H3
InChIKeySOOXQTPPXQQCPA-UHFFFAOYSA-N
XLogP4.06
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.17
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 10,16-dichloro-14-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-8,15-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10,16-dichloro-14-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-8,15-dione?
The IUPAC name of 10,16-dichloro-14-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-8,15-dione (CID 824422) is 10,16-dichloro-14-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-8,15-dione.
What is the SMILES notation for 10,16-dichloro-14-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-8,15-dione?
The canonical SMILES for 10,16-dichloro-14-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-8,15-dione is Cn1c(=O)c(Cl)c2c3c(c(Cl)ccc31)C(=O)c1ccccc1-2.
What is the InChIKey of 10,16-dichloro-14-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-8,15-dione?
The InChIKey is SOOXQTPPXQQCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9Cl2NO2/c1-20-11-7-6-10(18)13-14(11)12(15(19)17(20)22)8-4-2-3-5-9(8)16(13)21/h2-7H,1H3.
What are the key properties of 10,16-dichloro-14-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-8,15-dione?
10,16-dichloro-14-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-8,15-dione has a molecular weight of 330.17 g/mol, XLogP of 4.06, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10,16-dichloro-14-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-8,15-dione is sourced from PubChem (CID 824422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).