4-[(1-butyltetrazol-5-yl)-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]methyl]quinoline

C24H26Cl2N8 — CID 150333573

IUPAC4-[(1-butyltetrazol-5-yl)-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]methyl]quinoline
SMILESCCCCn1nnnc1C(c1ccnc2ccccc12)N1CCN(c2c(Cl)cncc2Cl)CC1
InChIInChI=1S/C24H26Cl2N8/c1-2-3-10-34-24(29-30-31-34)22(18-8-9-28-21-7-5-4-6-17(18)21)32-11-13-33(14-12-32)23-19(25)15-27-16-20(23)26/h4-9,15-16,22H,2-3,10-14H2,1H3
InChIKeyGQESADKZMXJKMI-UHFFFAOYSA-N
MW497.43 g/mol
LogP4.63
Rot. Bonds7

About 4-[(1-butyltetrazol-5-yl)-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]methyl]quinoline

4-[(1-butyltetrazol-5-yl)-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]methyl]quinoline (PubChem CID 150333573) has the molecular formula C24H26Cl2N8 and a molecular weight of 497.43 g/mol. Its IUPAC name is 4-[(1-butyltetrazol-5-yl)-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]methyl]quinoline.

Molecular Properties

Compound Name4-[(1-butyltetrazol-5-yl)-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]methyl]quinoline
PubChem CID150333573
Molecular FormulaC24H26Cl2N8
Molecular Weight497.43 g/mol
Exact Mass496.17
IUPAC Name4-[(1-butyltetrazol-5-yl)-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]methyl]quinoline
SMILESCCCCn1nnnc1C(c1ccnc2ccccc12)N1CCN(c2c(Cl)cncc2Cl)CC1
InChIInChI=1S/C24H26Cl2N8/c1-2-3-10-34-24(29-30-31-34)22(18-8-9-28-21-7-5-4-6-17(18)21)32-11-13-33(14-12-32)23-19(25)15-27-16-20(23)26/h4-9,15-16,22H,2-3,10-14H2,1H3
InChIKeyGQESADKZMXJKMI-UHFFFAOYSA-N
XLogP4.63
TPSA75.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.43
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[(1-butyltetrazol-5-yl)-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]methyl]quinoline 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 4-[(1-butyltetrazol-5-yl)-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]methyl]quinoline?
The IUPAC name of 4-[(1-butyltetrazol-5-yl)-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]methyl]quinoline (CID 150333573) is 4-[(1-butyltetrazol-5-yl)-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]methyl]quinoline.
What is the SMILES notation for 4-[(1-butyltetrazol-5-yl)-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]methyl]quinoline?
The canonical SMILES for 4-[(1-butyltetrazol-5-yl)-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]methyl]quinoline is CCCCn1nnnc1C(c1ccnc2ccccc12)N1CCN(c2c(Cl)cncc2Cl)CC1.
What is the InChIKey of 4-[(1-butyltetrazol-5-yl)-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]methyl]quinoline?
The InChIKey is GQESADKZMXJKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26Cl2N8/c1-2-3-10-34-24(29-30-31-34)22(18-8-9-28-21-7-5-4-6-17(18)21)32-11-13-33(14-12-32)23-19(25)15-27-16-20(23)26/h4-9,15-16,22H,2-3,10-14H2,1H3.
What are the key properties of 4-[(1-butyltetrazol-5-yl)-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]methyl]quinoline?
4-[(1-butyltetrazol-5-yl)-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]methyl]quinoline has a molecular weight of 497.43 g/mol, XLogP of 4.63, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-butyltetrazol-5-yl)-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]methyl]quinoline is sourced from PubChem (CID 150333573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).