1-(7-chloroquinolin-4-yl)-N-[(4-methoxyphenyl)methyl]-5-methyltriazole-4-carboxamide

C21H18ClN5O2 — CID 162624532

IUPAC1-(7-chloroquinolin-4-yl)-N-[(4-methoxyphenyl)methyl]-5-methyltriazole-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2nnn(-c3ccnc4cc(Cl)ccc34)c2C)cc1
InChIInChI=1S/C21H18ClN5O2/c1-13-20(21(28)24-12-14-3-6-16(29-2)7-4-14)25-26-27(13)19-9-10-23-18-11-15(22)5-8-17(18)19/h3-11H,12H2,1-2H3,(H,24,28)
InChIKeySVJJXBAHZZVFPI-UHFFFAOYSA-N
MW407.86 g/mol
LogP3.72
Rot. Bonds5

About 1-(7-chloroquinolin-4-yl)-N-[(4-methoxyphenyl)methyl]-5-methyltriazole-4-carboxamide

1-(7-chloroquinolin-4-yl)-N-[(4-methoxyphenyl)methyl]-5-methyltriazole-4-carboxamide (PubChem CID 162624532) has the molecular formula C21H18ClN5O2 and a molecular weight of 407.86 g/mol. Its IUPAC name is 1-(7-chloroquinolin-4-yl)-N-[(4-methoxyphenyl)methyl]-5-methyltriazole-4-carboxamide.

Molecular Properties

Compound Name1-(7-chloroquinolin-4-yl)-N-[(4-methoxyphenyl)methyl]-5-methyltriazole-4-carboxamide
PubChem CID162624532
Molecular FormulaC21H18ClN5O2
Molecular Weight407.86 g/mol
Exact Mass407.11
IUPAC Name1-(7-chloroquinolin-4-yl)-N-[(4-methoxyphenyl)methyl]-5-methyltriazole-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2nnn(-c3ccnc4cc(Cl)ccc34)c2C)cc1
InChIInChI=1S/C21H18ClN5O2/c1-13-20(21(28)24-12-14-3-6-16(29-2)7-4-14)25-26-27(13)19-9-10-23-18-11-15(22)5-8-17(18)19/h3-11H,12H2,1-2H3,(H,24,28)
InChIKeySVJJXBAHZZVFPI-UHFFFAOYSA-N
XLogP3.72
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.86
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(7-chloroquinolin-4-yl)-N-[(4-methoxyphenyl)methyl]-5-methyltriazole-4-carboxamide 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

1-(5-chloro-2-methoxyphenyl)-N-[(4-fluorophenyl)methyl]-5-methyltriazole-4-carboxamide
CID 46857970
4-chloro-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 7802633
1-(4-chlorophenyl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]-5-methyltriazole-4-carboxamide
CID 46858312
N-[(4-chlorophenyl)methyl]-1-(3,4-dimethylphenyl)-5-methyltriazole-4-carboxamide
CID 46858337
1-(7-chloroquinolin-4-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 133356339
1-(3-chlorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]-5-methyltriazole-4-carboxamide
CID 55871132
1-(2-methoxyphenyl)-5-methyl-N-[(2-phenoxy-4-pyridinyl)methyl]triazole-4-carboxamide
CID 47036917
2,4-dichloro-N-[(4-methoxyphenyl)methyl]benzamide
CID 779696
4-[(4-chlorophenyl)methylamino]-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109211857
5-amino-N-[(4-chlorophenyl)methyl]-1-(4-ethoxyphenyl)triazole-4-carboxamide
CID 17014891
5-chloro-N-[(4-methoxyphenyl)methyl]-2-(methylamino)benzamide
CID 62173121
2-(5-chloro-2-methylanilino)-N-[(4-methoxyphenyl)methyl]pyridine-4-carboxamide
CID 109171227

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloroquinolin-4-yl)-N-[(4-methoxyphenyl)methyl]-5-methyltriazole-4-carboxamide?
The IUPAC name of 1-(7-chloroquinolin-4-yl)-N-[(4-methoxyphenyl)methyl]-5-methyltriazole-4-carboxamide (CID 162624532) is 1-(7-chloroquinolin-4-yl)-N-[(4-methoxyphenyl)methyl]-5-methyltriazole-4-carboxamide.
What is the SMILES notation for 1-(7-chloroquinolin-4-yl)-N-[(4-methoxyphenyl)methyl]-5-methyltriazole-4-carboxamide?
The canonical SMILES for 1-(7-chloroquinolin-4-yl)-N-[(4-methoxyphenyl)methyl]-5-methyltriazole-4-carboxamide is COc1ccc(CNC(=O)c2nnn(-c3ccnc4cc(Cl)ccc34)c2C)cc1.
What is the InChIKey of 1-(7-chloroquinolin-4-yl)-N-[(4-methoxyphenyl)methyl]-5-methyltriazole-4-carboxamide?
The InChIKey is SVJJXBAHZZVFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN5O2/c1-13-20(21(28)24-12-14-3-6-16(29-2)7-4-14)25-26-27(13)19-9-10-23-18-11-15(22)5-8-17(18)19/h3-11H,12H2,1-2H3,(H,24,28).
What are the key properties of 1-(7-chloroquinolin-4-yl)-N-[(4-methoxyphenyl)methyl]-5-methyltriazole-4-carboxamide?
1-(7-chloroquinolin-4-yl)-N-[(4-methoxyphenyl)methyl]-5-methyltriazole-4-carboxamide has a molecular weight of 407.86 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloroquinolin-4-yl)-N-[(4-methoxyphenyl)methyl]-5-methyltriazole-4-carboxamide is sourced from PubChem (CID 162624532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).