1-[1-(7-chloroquinolin-4-yl)triazol-4-yl]-N-[[1-(7-chloroquinolin-4-yl)triazol-4-yl]methyl]methanamine

C24H17Cl2N9 — CID 118735249

IUPAC1-[1-(7-chloroquinolin-4-yl)triazol-4-yl]-N-[[1-(7-chloroquinolin-4-yl)triazol-4-yl]methyl]methanamine
SMILESClc1ccc2c(-n3cc(CNCc4cn(-c5ccnc6cc(Cl)ccc56)nn4)nn3)ccnc2c1
InChIInChI=1S/C24H17Cl2N9/c25-15-1-3-19-21(9-15)28-7-5-23(19)34-13-17(30-32-34)11-27-12-18-14-35(33-31-18)24-6-8-29-22-10-16(26)2-4-20(22)24/h1-10,13-14,27H,11-12H2
InChIKeyUOXLXJVQSIDARX-UHFFFAOYSA-N
MW502.37 g/mol
LogP4.54
Rot. Bonds6

About 1-[1-(7-chloroquinolin-4-yl)triazol-4-yl]-N-[[1-(7-chloroquinolin-4-yl)triazol-4-yl]methyl]methanamine

1-[1-(7-chloroquinolin-4-yl)triazol-4-yl]-N-[[1-(7-chloroquinolin-4-yl)triazol-4-yl]methyl]methanamine (PubChem CID 118735249) has the molecular formula C24H17Cl2N9 and a molecular weight of 502.37 g/mol. Its IUPAC name is 1-[1-(7-chloroquinolin-4-yl)triazol-4-yl]-N-[[1-(7-chloroquinolin-4-yl)triazol-4-yl]methyl]methanamine.

Molecular Properties

Compound Name1-[1-(7-chloroquinolin-4-yl)triazol-4-yl]-N-[[1-(7-chloroquinolin-4-yl)triazol-4-yl]methyl]methanamine
PubChem CID118735249
Molecular FormulaC24H17Cl2N9
Molecular Weight502.37 g/mol
Exact Mass501.10
IUPAC Name1-[1-(7-chloroquinolin-4-yl)triazol-4-yl]-N-[[1-(7-chloroquinolin-4-yl)triazol-4-yl]methyl]methanamine
SMILESClc1ccc2c(-n3cc(CNCc4cn(-c5ccnc6cc(Cl)ccc56)nn4)nn3)ccnc2c1
InChIInChI=1S/C24H17Cl2N9/c25-15-1-3-19-21(9-15)28-7-5-23(19)34-13-17(30-32-34)11-27-12-18-14-35(33-31-18)24-6-8-29-22-10-16(26)2-4-20(22)24/h1-10,13-14,27H,11-12H2
InChIKeyUOXLXJVQSIDARX-UHFFFAOYSA-N
XLogP4.54
TPSA99.23 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.37
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-[1-(7-chloroquinolin-4-yl)triazol-4-yl]-N-[[1-(7-chloroquinolin-4-yl)triazol-4-yl]methyl]methanamine 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 1-[1-(7-chloroquinolin-4-yl)triazol-4-yl]-N-[[1-(7-chloroquinolin-4-yl)triazol-4-yl]methyl]methanamine?
The IUPAC name of 1-[1-(7-chloroquinolin-4-yl)triazol-4-yl]-N-[[1-(7-chloroquinolin-4-yl)triazol-4-yl]methyl]methanamine (CID 118735249) is 1-[1-(7-chloroquinolin-4-yl)triazol-4-yl]-N-[[1-(7-chloroquinolin-4-yl)triazol-4-yl]methyl]methanamine.
What is the SMILES notation for 1-[1-(7-chloroquinolin-4-yl)triazol-4-yl]-N-[[1-(7-chloroquinolin-4-yl)triazol-4-yl]methyl]methanamine?
The canonical SMILES for 1-[1-(7-chloroquinolin-4-yl)triazol-4-yl]-N-[[1-(7-chloroquinolin-4-yl)triazol-4-yl]methyl]methanamine is Clc1ccc2c(-n3cc(CNCc4cn(-c5ccnc6cc(Cl)ccc56)nn4)nn3)ccnc2c1.
What is the InChIKey of 1-[1-(7-chloroquinolin-4-yl)triazol-4-yl]-N-[[1-(7-chloroquinolin-4-yl)triazol-4-yl]methyl]methanamine?
The InChIKey is UOXLXJVQSIDARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17Cl2N9/c25-15-1-3-19-21(9-15)28-7-5-23(19)34-13-17(30-32-34)11-27-12-18-14-35(33-31-18)24-6-8-29-22-10-16(26)2-4-20(22)24/h1-10,13-14,27H,11-12H2.
What are the key properties of 1-[1-(7-chloroquinolin-4-yl)triazol-4-yl]-N-[[1-(7-chloroquinolin-4-yl)triazol-4-yl]methyl]methanamine?
1-[1-(7-chloroquinolin-4-yl)triazol-4-yl]-N-[[1-(7-chloroquinolin-4-yl)triazol-4-yl]methyl]methanamine has a molecular weight of 502.37 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(7-chloroquinolin-4-yl)triazol-4-yl]-N-[[1-(7-chloroquinolin-4-yl)triazol-4-yl]methyl]methanamine is sourced from PubChem (CID 118735249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).