16-(4-chloroanilino)-14-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-8,15-dione

C23H15ClN2O2 — CID 4684835

IUPAC16-(4-chloroanilino)-14-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-8,15-dione
SMILESCn1c(=O)c(Nc2ccc(Cl)cc2)c2c3c(cccc31)C(=O)c1ccccc1-2
InChIInChI=1S/C23H15ClN2O2/c1-26-18-8-4-7-17-19(18)20(15-5-2-3-6-16(15)22(17)27)21(23(26)28)25-14-11-9-13(24)10-12-14/h2-12,25H,1H3
InChIKeyUDQSOTQVMLMKFO-UHFFFAOYSA-N
MW386.84 g/mol
LogP5.15
Rot. Bonds2

About 16-(4-chloroanilino)-14-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-8,15-dione

16-(4-chloroanilino)-14-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-8,15-dione (PubChem CID 4684835) has the molecular formula C23H15ClN2O2 and a molecular weight of 386.84 g/mol. Its IUPAC name is 16-(4-chloroanilino)-14-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-8,15-dione.

Molecular Properties

Compound Name16-(4-chloroanilino)-14-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-8,15-dione
PubChem CID4684835
Molecular FormulaC23H15ClN2O2
Molecular Weight386.84 g/mol
Exact Mass386.08
IUPAC Name16-(4-chloroanilino)-14-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-8,15-dione
SMILESCn1c(=O)c(Nc2ccc(Cl)cc2)c2c3c(cccc31)C(=O)c1ccccc1-2
InChIInChI=1S/C23H15ClN2O2/c1-26-18-8-4-7-17-19(18)20(15-5-2-3-6-16(15)22(17)27)21(23(26)28)25-14-11-9-13(24)10-12-14/h2-12,25H,1H3
InChIKeyUDQSOTQVMLMKFO-UHFFFAOYSA-N
XLogP5.15
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.84
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 16-(4-chloroanilino)-14-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-8,15-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 16-(4-chloroanilino)-14-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-8,15-dione?
The IUPAC name of 16-(4-chloroanilino)-14-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-8,15-dione (CID 4684835) is 16-(4-chloroanilino)-14-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-8,15-dione.
What is the SMILES notation for 16-(4-chloroanilino)-14-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-8,15-dione?
The canonical SMILES for 16-(4-chloroanilino)-14-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-8,15-dione is Cn1c(=O)c(Nc2ccc(Cl)cc2)c2c3c(cccc31)C(=O)c1ccccc1-2.
What is the InChIKey of 16-(4-chloroanilino)-14-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-8,15-dione?
The InChIKey is UDQSOTQVMLMKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClN2O2/c1-26-18-8-4-7-17-19(18)20(15-5-2-3-6-16(15)22(17)27)21(23(26)28)25-14-11-9-13(24)10-12-14/h2-12,25H,1H3.
What are the key properties of 16-(4-chloroanilino)-14-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-8,15-dione?
16-(4-chloroanilino)-14-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-8,15-dione has a molecular weight of 386.84 g/mol, XLogP of 5.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 16-(4-chloroanilino)-14-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-8,15-dione is sourced from PubChem (CID 4684835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).