2-[4-(3-chloro-2-piperazin-1-ylquinolin-6-yl)triazol-1-yl]-N,N-dimethylethanamine

C19H24ClN7 — CID 166485324

IUPAC2-[4-(3-chloro-2-piperazin-1-ylquinolin-6-yl)triazol-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCn1cc(-c2ccc3nc(N4CCNCC4)c(Cl)cc3c2)nn1
InChIInChI=1S/C19H24ClN7/c1-25(2)9-10-27-13-18(23-24-27)14-3-4-17-15(11-14)12-16(20)19(22-17)26-7-5-21-6-8-26/h3-4,11-13,21H,5-10H2,1-2H3
InChIKeyWGSCCNOIGPDUFJ-UHFFFAOYSA-N
MW385.90 g/mol
LogP2.12
Rot. Bonds5

About 2-[4-(3-chloro-2-piperazin-1-ylquinolin-6-yl)triazol-1-yl]-N,N-dimethylethanamine

2-[4-(3-chloro-2-piperazin-1-ylquinolin-6-yl)triazol-1-yl]-N,N-dimethylethanamine (PubChem CID 166485324) has the molecular formula C19H24ClN7 and a molecular weight of 385.90 g/mol. Its IUPAC name is 2-[4-(3-chloro-2-piperazin-1-ylquinolin-6-yl)triazol-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-(3-chloro-2-piperazin-1-ylquinolin-6-yl)triazol-1-yl]-N,N-dimethylethanamine
PubChem CID166485324
Molecular FormulaC19H24ClN7
Molecular Weight385.90 g/mol
Exact Mass385.18
IUPAC Name2-[4-(3-chloro-2-piperazin-1-ylquinolin-6-yl)triazol-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCn1cc(-c2ccc3nc(N4CCNCC4)c(Cl)cc3c2)nn1
InChIInChI=1S/C19H24ClN7/c1-25(2)9-10-27-13-18(23-24-27)14-3-4-17-15(11-14)12-16(20)19(22-17)26-7-5-21-6-8-26/h3-4,11-13,21H,5-10H2,1-2H3
InChIKeyWGSCCNOIGPDUFJ-UHFFFAOYSA-N
XLogP2.12
TPSA62.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[4-(3-chloro-2-piperazin-1-ylquinolin-6-yl)triazol-1-yl]-N,N-dimethylethanamine 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

[5-(3-chloro-2-piperazin-1-ylquinolin-6-yl)-1,3,4-oxadiazol-2-yl]methanamine
CID 166485547
[3-(3-chloro-2-piperazin-1-ylquinolin-6-yl)-5-methoxyphenyl]methanamine
CID 166485454
[2-(3-chloro-2-piperazin-1-ylquinolin-6-yl)phenyl]methanamine
CID 166485251
[3-(3-chloro-2-piperazin-1-ylquinolin-6-yl)-2-methylphenyl]methanamine;dihydrochloride
CID 166485443
3-chloro-2-piperazin-1-yl-6-piperidin-1-ylquinoline
CID 166485216
3-chloro-2-piperazin-1-yl-N-piperidin-4-ylquinolin-6-amine;dihydrochloride
CID 166485276
[3-(3-chloro-2-piperazin-1-ylquinolin-6-yl)-2-methoxyphenyl]methanamine;dihydrochloride
CID 166485387
N'-(3-chloro-2-piperazin-1-ylquinolin-6-yl)butane-1,4-diamine
CID 166485360
3-chloro-2-piperazin-1-yl-6-(1,2,3,4-tetrahydroisoquinolin-5-yl)quinoline;dihydrochloride
CID 166485514
3-chloro-2-piperazin-1-yl-N-[(3S)-piperidin-3-yl]quinolin-6-amine
CID 166485264
[1-(3-chloro-2-piperazin-1-ylquinolin-6-yl)pyrrolidin-3-yl]methanamine;dihydrochloride
CID 171851681
(3R)-1-(3-chloro-2-piperazin-1-ylquinolin-6-yl)pyrrolidin-3-amine;dihydrochloride
CID 166485583

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chloro-2-piperazin-1-ylquinolin-6-yl)triazol-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[4-(3-chloro-2-piperazin-1-ylquinolin-6-yl)triazol-1-yl]-N,N-dimethylethanamine (CID 166485324) is 2-[4-(3-chloro-2-piperazin-1-ylquinolin-6-yl)triazol-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-(3-chloro-2-piperazin-1-ylquinolin-6-yl)triazol-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-(3-chloro-2-piperazin-1-ylquinolin-6-yl)triazol-1-yl]-N,N-dimethylethanamine is CN(C)CCn1cc(-c2ccc3nc(N4CCNCC4)c(Cl)cc3c2)nn1.
What is the InChIKey of 2-[4-(3-chloro-2-piperazin-1-ylquinolin-6-yl)triazol-1-yl]-N,N-dimethylethanamine?
The InChIKey is WGSCCNOIGPDUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN7/c1-25(2)9-10-27-13-18(23-24-27)14-3-4-17-15(11-14)12-16(20)19(22-17)26-7-5-21-6-8-26/h3-4,11-13,21H,5-10H2,1-2H3.
What are the key properties of 2-[4-(3-chloro-2-piperazin-1-ylquinolin-6-yl)triazol-1-yl]-N,N-dimethylethanamine?
2-[4-(3-chloro-2-piperazin-1-ylquinolin-6-yl)triazol-1-yl]-N,N-dimethylethanamine has a molecular weight of 385.90 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chloro-2-piperazin-1-ylquinolin-6-yl)triazol-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 166485324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).