(11Z)-2-[4-(3-chlorophenyl)piperazin-1-yl]-4,5,6,7-tetrazatricyclo[11.4.0.03,7]heptadeca-1(17),3,5,11,13,15-hexaene

C23H25ClN6 — CID 171037883

IUPAC(11Z)-2-[4-(3-chlorophenyl)piperazin-1-yl]-4,5,6,7-tetrazatricyclo[11.4.0.03,7]heptadeca-1(17),3,5,11,13,15-hexaene
SMILESClc1cccc(N2CCN(C3c4ccccc4/C=C\CCCn4nnnc43)CC2)c1
InChIInChI=1S/C23H25ClN6/c24-19-9-6-10-20(17-19)28-13-15-29(16-14-28)22-21-11-4-3-8-18(21)7-2-1-5-12-30-23(22)25-26-27-30/h2-4,6-11,17,22H,1,5,12-16H2/b7-2-
InChIKeySHVDVVSAIFSYNO-UQCOIBPSSA-N
MW420.95 g/mol
LogP4.05
Rot. Bonds2

About (11Z)-2-[4-(3-chlorophenyl)piperazin-1-yl]-4,5,6,7-tetrazatricyclo[11.4.0.03,7]heptadeca-1(17),3,5,11,13,15-hexaene

(11Z)-2-[4-(3-chlorophenyl)piperazin-1-yl]-4,5,6,7-tetrazatricyclo[11.4.0.03,7]heptadeca-1(17),3,5,11,13,15-hexaene (PubChem CID 171037883) has the molecular formula C23H25ClN6 and a molecular weight of 420.95 g/mol. Its IUPAC name is (11Z)-2-[4-(3-chlorophenyl)piperazin-1-yl]-4,5,6,7-tetrazatricyclo[11.4.0.03,7]heptadeca-1(17),3,5,11,13,15-hexaene.

Molecular Properties

Compound Name(11Z)-2-[4-(3-chlorophenyl)piperazin-1-yl]-4,5,6,7-tetrazatricyclo[11.4.0.03,7]heptadeca-1(17),3,5,11,13,15-hexaene
PubChem CID171037883
Molecular FormulaC23H25ClN6
Molecular Weight420.95 g/mol
Exact Mass420.18
IUPAC Name(11Z)-2-[4-(3-chlorophenyl)piperazin-1-yl]-4,5,6,7-tetrazatricyclo[11.4.0.03,7]heptadeca-1(17),3,5,11,13,15-hexaene
SMILESClc1cccc(N2CCN(C3c4ccccc4/C=C\CCCn4nnnc43)CC2)c1
InChIInChI=1S/C23H25ClN6/c24-19-9-6-10-20(17-19)28-13-15-29(16-14-28)22-21-11-4-3-8-18(21)7-2-1-5-12-30-23(22)25-26-27-30/h2-4,6-11,17,22H,1,5,12-16H2/b7-2-
InChIKeySHVDVVSAIFSYNO-UQCOIBPSSA-N
XLogP4.05
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.95
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (11Z)-2-[4-(3-chlorophenyl)piperazin-1-yl]-4,5,6,7-tetrazatricyclo[11.4.0.03,7]heptadeca-1(17),3,5,11,13,15-hexaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (11Z)-2-[4-(3-chlorophenyl)piperazin-1-yl]-4,5,6,7-tetrazatricyclo[11.4.0.03,7]heptadeca-1(17),3,5,11,13,15-hexaene?
The IUPAC name of (11Z)-2-[4-(3-chlorophenyl)piperazin-1-yl]-4,5,6,7-tetrazatricyclo[11.4.0.03,7]heptadeca-1(17),3,5,11,13,15-hexaene (CID 171037883) is (11Z)-2-[4-(3-chlorophenyl)piperazin-1-yl]-4,5,6,7-tetrazatricyclo[11.4.0.03,7]heptadeca-1(17),3,5,11,13,15-hexaene.
What is the SMILES notation for (11Z)-2-[4-(3-chlorophenyl)piperazin-1-yl]-4,5,6,7-tetrazatricyclo[11.4.0.03,7]heptadeca-1(17),3,5,11,13,15-hexaene?
The canonical SMILES for (11Z)-2-[4-(3-chlorophenyl)piperazin-1-yl]-4,5,6,7-tetrazatricyclo[11.4.0.03,7]heptadeca-1(17),3,5,11,13,15-hexaene is Clc1cccc(N2CCN(C3c4ccccc4/C=C\CCCn4nnnc43)CC2)c1.
What is the InChIKey of (11Z)-2-[4-(3-chlorophenyl)piperazin-1-yl]-4,5,6,7-tetrazatricyclo[11.4.0.03,7]heptadeca-1(17),3,5,11,13,15-hexaene?
The InChIKey is SHVDVVSAIFSYNO-UQCOIBPSSA-N. The full InChI is InChI=1S/C23H25ClN6/c24-19-9-6-10-20(17-19)28-13-15-29(16-14-28)22-21-11-4-3-8-18(21)7-2-1-5-12-30-23(22)25-26-27-30/h2-4,6-11,17,22H,1,5,12-16H2/b7-2-.
What are the key properties of (11Z)-2-[4-(3-chlorophenyl)piperazin-1-yl]-4,5,6,7-tetrazatricyclo[11.4.0.03,7]heptadeca-1(17),3,5,11,13,15-hexaene?
(11Z)-2-[4-(3-chlorophenyl)piperazin-1-yl]-4,5,6,7-tetrazatricyclo[11.4.0.03,7]heptadeca-1(17),3,5,11,13,15-hexaene has a molecular weight of 420.95 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (11Z)-2-[4-(3-chlorophenyl)piperazin-1-yl]-4,5,6,7-tetrazatricyclo[11.4.0.03,7]heptadeca-1(17),3,5,11,13,15-hexaene is sourced from PubChem (CID 171037883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).