6-[5-(5-chloro-2-fluorophenyl)-2H-triazol-4-yl]-3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]quinoline

C27H29ClFN7 — CID 146662081

IUPAC6-[5-(5-chloro-2-fluorophenyl)-2H-triazol-4-yl]-3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]quinoline
SMILESCN1CCN(C2CCN(c3cnc4ccc(-c5n[nH]nc5-c5cc(Cl)ccc5F)cc4c3)CC2)CC1
InChIInChI=1S/C27H29ClFN7/c1-34-10-12-36(13-11-34)21-6-8-35(9-7-21)22-15-19-14-18(2-5-25(19)30-17-22)26-27(32-33-31-26)23-16-20(28)3-4-24(23)29/h2-5,14-17,21H,6-13H2,1H3,(H,31,32,33)
InChIKeyYWGGSMQVLCLHSL-UHFFFAOYSA-N
MW506.03 g/mol
LogP4.70
Rot. Bonds4

About 6-[5-(5-chloro-2-fluorophenyl)-2H-triazol-4-yl]-3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]quinoline

6-[5-(5-chloro-2-fluorophenyl)-2H-triazol-4-yl]-3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]quinoline (PubChem CID 146662081) has the molecular formula C27H29ClFN7 and a molecular weight of 506.03 g/mol. Its IUPAC name is 6-[5-(5-chloro-2-fluorophenyl)-2H-triazol-4-yl]-3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]quinoline.

Molecular Properties

Compound Name6-[5-(5-chloro-2-fluorophenyl)-2H-triazol-4-yl]-3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]quinoline
PubChem CID146662081
Molecular FormulaC27H29ClFN7
Molecular Weight506.03 g/mol
Exact Mass505.22
IUPAC Name6-[5-(5-chloro-2-fluorophenyl)-2H-triazol-4-yl]-3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]quinoline
SMILESCN1CCN(C2CCN(c3cnc4ccc(-c5n[nH]nc5-c5cc(Cl)ccc5F)cc4c3)CC2)CC1
InChIInChI=1S/C27H29ClFN7/c1-34-10-12-36(13-11-34)21-6-8-35(9-7-21)22-15-19-14-18(2-5-25(19)30-17-22)26-27(32-33-31-26)23-16-20(28)3-4-24(23)29/h2-5,14-17,21H,6-13H2,1H3,(H,31,32,33)
InChIKeyYWGGSMQVLCLHSL-UHFFFAOYSA-N
XLogP4.70
TPSA64.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.03
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[5-(5-chloro-2-fluorophenyl)-2H-triazol-4-yl]-3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[1-(2-Fluoropyridin-3-yl)-5-methyltriazol-4-yl]quinoline
CID 11301185
(R)-2-(6-chloropyridin-3-yl)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinoline
CID 25156478
(R)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)-2-(pyrazin-2-yl)quinoline
CID 46890476
6-[1-[4-[4-(2,3-Dichlorophenyl)piperazin-1-yl]butyl]triazol-4-yl]quinoline
CID 122180616
1-[(1S)-1-(4-Chlorophenyl)ethyl]-8-(2-methylpyridin-4-yl)-1H-[1,2,3]triazolo[4,5-c]quinoline
CID 137637167
1-[(1S)-1-(4-fluorophenyl)ethyl]-8-(2-methyl-4-pyridinyl)triazolo[4,5-c]quinoline
CID 137637724
7-chloro-N-[[1-[(4-fluorophenyl)methyl]triazol-4-yl]methyl]-1,2,3,4-tetrahydroacridin-9-amine
CID 137638707
1-[(1R)-1-(4-fluorophenyl)ethyl]-8-(2-methyl-4-pyridinyl)triazolo[4,5-c]quinoline
CID 137641621
1-[(1S)-1-(4-fluorophenyl)ethyl]-8-pyridin-4-yltriazolo[4,5-c]quinoline
CID 137645266
6-chloro-N-[[1-[(4-fluorophenyl)methyl]triazol-4-yl]methyl]-1,2,3,4-tetrahydroacridin-9-amine
CID 137654255
1-[(4-Fluorophenyl)methyl]-8-(2-methyl-4-pyridinyl)triazolo[4,5-c]quinoline
CID 137655950
7-chloro-N-[[1-[(4-methylphenyl)methyl]triazol-4-yl]methyl]-1,2,3,4-tetrahydroacridin-9-amine
CID 137659506

Frequently Asked Questions

What is the IUPAC name of 6-[5-(5-chloro-2-fluorophenyl)-2H-triazol-4-yl]-3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]quinoline?
The IUPAC name of 6-[5-(5-chloro-2-fluorophenyl)-2H-triazol-4-yl]-3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]quinoline (CID 146662081) is 6-[5-(5-chloro-2-fluorophenyl)-2H-triazol-4-yl]-3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]quinoline.
What is the SMILES notation for 6-[5-(5-chloro-2-fluorophenyl)-2H-triazol-4-yl]-3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]quinoline?
The canonical SMILES for 6-[5-(5-chloro-2-fluorophenyl)-2H-triazol-4-yl]-3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]quinoline is CN1CCN(C2CCN(c3cnc4ccc(-c5n[nH]nc5-c5cc(Cl)ccc5F)cc4c3)CC2)CC1.
What is the InChIKey of 6-[5-(5-chloro-2-fluorophenyl)-2H-triazol-4-yl]-3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]quinoline?
The InChIKey is YWGGSMQVLCLHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29ClFN7/c1-34-10-12-36(13-11-34)21-6-8-35(9-7-21)22-15-19-14-18(2-5-25(19)30-17-22)26-27(32-33-31-26)23-16-20(28)3-4-24(23)29/h2-5,14-17,21H,6-13H2,1H3,(H,31,32,33).
What are the key properties of 6-[5-(5-chloro-2-fluorophenyl)-2H-triazol-4-yl]-3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]quinoline?
6-[5-(5-chloro-2-fluorophenyl)-2H-triazol-4-yl]-3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]quinoline has a molecular weight of 506.03 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(5-chloro-2-fluorophenyl)-2H-triazol-4-yl]-3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]quinoline is sourced from PubChem (CID 146662081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).