11-[2-(4-chlorophenyl)ethyl]-15-methyl-7,11,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene

C23H26ClN3 — CID 71008316

IUPAC11-[2-(4-chlorophenyl)ethyl]-15-methyl-7,11,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene
SMILESCc1ccc2c(n1)c1c(n2CCc2ccc(Cl)cc2)CCN2CCCCC12
InChIInChI=1S/C23H26ClN3/c1-16-5-10-21-23(25-16)22-19-4-2-3-13-26(19)14-12-20(22)27(21)15-11-17-6-8-18(24)9-7-17/h5-10,19H,2-4,11-15H2,1H3
InChIKeyUQZLHPLRQAXGLC-UHFFFAOYSA-N
MW379.94 g/mol
LogP5.32
Rot. Bonds3

About 11-[2-(4-chlorophenyl)ethyl]-15-methyl-7,11,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene

11-[2-(4-chlorophenyl)ethyl]-15-methyl-7,11,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene (PubChem CID 71008316) has the molecular formula C23H26ClN3 and a molecular weight of 379.94 g/mol. Its IUPAC name is 11-[2-(4-chlorophenyl)ethyl]-15-methyl-7,11,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene.

Molecular Properties

Compound Name11-[2-(4-chlorophenyl)ethyl]-15-methyl-7,11,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene
PubChem CID71008316
Molecular FormulaC23H26ClN3
Molecular Weight379.94 g/mol
Exact Mass379.18
IUPAC Name11-[2-(4-chlorophenyl)ethyl]-15-methyl-7,11,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene
SMILESCc1ccc2c(n1)c1c(n2CCc2ccc(Cl)cc2)CCN2CCCCC12
InChIInChI=1S/C23H26ClN3/c1-16-5-10-21-23(25-16)22-19-4-2-3-13-26(19)14-12-20(22)27(21)15-11-17-6-8-18(24)9-7-17/h5-10,19H,2-4,11-15H2,1H3
InChIKeyUQZLHPLRQAXGLC-UHFFFAOYSA-N
XLogP5.32
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.94
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 11-[2-(4-chlorophenyl)ethyl]-15-methyl-7,11,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 11-[2-(4-chlorophenyl)ethyl]-15-methyl-7,11,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene?
The IUPAC name of 11-[2-(4-chlorophenyl)ethyl]-15-methyl-7,11,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene (CID 71008316) is 11-[2-(4-chlorophenyl)ethyl]-15-methyl-7,11,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene.
What is the SMILES notation for 11-[2-(4-chlorophenyl)ethyl]-15-methyl-7,11,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene?
The canonical SMILES for 11-[2-(4-chlorophenyl)ethyl]-15-methyl-7,11,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene is Cc1ccc2c(n1)c1c(n2CCc2ccc(Cl)cc2)CCN2CCCCC12.
What is the InChIKey of 11-[2-(4-chlorophenyl)ethyl]-15-methyl-7,11,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene?
The InChIKey is UQZLHPLRQAXGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3/c1-16-5-10-21-23(25-16)22-19-4-2-3-13-26(19)14-12-20(22)27(21)15-11-17-6-8-18(24)9-7-17/h5-10,19H,2-4,11-15H2,1H3.
What are the key properties of 11-[2-(4-chlorophenyl)ethyl]-15-methyl-7,11,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene?
11-[2-(4-chlorophenyl)ethyl]-15-methyl-7,11,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene has a molecular weight of 379.94 g/mol, XLogP of 5.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[2-(4-chlorophenyl)ethyl]-15-methyl-7,11,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12(17),13,15-tetraene is sourced from PubChem (CID 71008316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).