N-[(2-chlorophenyl)methyl]-2-methyl-7-(2-methylpropanoylamino)quinoline-5-carboxamide

C22H22ClN3O2 — CID 50842551

IUPACN-[(2-chlorophenyl)methyl]-2-methyl-7-(2-methylpropanoylamino)quinoline-5-carboxamide
SMILESCc1ccc2c(C(=O)NCc3ccccc3Cl)cc(NC(=O)C(C)C)cc2n1
InChIInChI=1S/C22H22ClN3O2/c1-13(2)21(27)26-16-10-18(17-9-8-14(3)25-20(17)11-16)22(28)24-12-15-6-4-5-7-19(15)23/h4-11,13H,12H2,1-3H3,(H,24,28)(H,26,27)
InChIKeyOHGDEZGWTYZUFX-UHFFFAOYSA-N
MW395.89 g/mol
LogP4.72
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-2-methyl-7-(2-methylpropanoylamino)quinoline-5-carboxamide

N-[(2-chlorophenyl)methyl]-2-methyl-7-(2-methylpropanoylamino)quinoline-5-carboxamide (PubChem CID 50842551) has the molecular formula C22H22ClN3O2 and a molecular weight of 395.89 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-methyl-7-(2-methylpropanoylamino)quinoline-5-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-methyl-7-(2-methylpropanoylamino)quinoline-5-carboxamide
PubChem CID50842551
Molecular FormulaC22H22ClN3O2
Molecular Weight395.89 g/mol
Exact Mass395.14
IUPAC NameN-[(2-chlorophenyl)methyl]-2-methyl-7-(2-methylpropanoylamino)quinoline-5-carboxamide
SMILESCc1ccc2c(C(=O)NCc3ccccc3Cl)cc(NC(=O)C(C)C)cc2n1
InChIInChI=1S/C22H22ClN3O2/c1-13(2)21(27)26-16-10-18(17-9-8-14(3)25-20(17)11-16)22(28)24-12-15-6-4-5-7-19(15)23/h4-11,13H,12H2,1-3H3,(H,24,28)(H,26,27)
InChIKeyOHGDEZGWTYZUFX-UHFFFAOYSA-N
XLogP4.72
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.89
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(2-chlorophenyl)methyl]-2-methyl-7-(2-methylpropanoylamino)quinoline-5-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

N-[(2-chloro-4-fluorophenyl)methyl]-2-methyl-7-(2-methylpropanoylamino)quinoline-5-carboxamide
CID 50842217
N-[(3-bromophenyl)methyl]-2-methyl-7-(2-methylpropanoylamino)quinoline-5-carboxamide
CID 50842284
N-[(2-chlorophenyl)methyl]-2-(2-chlorophenyl)sulfanylquinoline-4-carboxamide
CID 4244425
7-(cyclobutanecarbonylamino)-2-methyl-N-(2-methylpropyl)quinoline-5-carboxamide
CID 53137977
N-[(2-chlorophenyl)methyl]-2-pyridin-2-ylquinoline-4-carboxamide
CID 3611934
2-chloro-N-[(2-chlorophenyl)methyl]-6-methylpyridine-4-carboxamide
CID 113378301
N-[(2-chlorophenyl)methyl]-2-methyl-4-propan-2-yl-1,3-oxazole-5-carboxamide
CID 110684647
N-[(2-chlorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4548099
2-chloro-N-[(2-chlorophenyl)methyl]-5-methylsulfanylbenzamide
CID 26692390
N-[(2-chlorophenyl)methyl]-4-hydroxy-2-methylbenzamide
CID 103863466
N-[(2-chlorophenyl)methyl]-2-(2,4-dimethyl-1,3-oxazol-5-yl)acetamide
CID 110680031
N-(2-chlorophenyl)-2-methylquinoline-4-carboxamide
CID 856039

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-methyl-7-(2-methylpropanoylamino)quinoline-5-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-methyl-7-(2-methylpropanoylamino)quinoline-5-carboxamide (CID 50842551) is N-[(2-chlorophenyl)methyl]-2-methyl-7-(2-methylpropanoylamino)quinoline-5-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-methyl-7-(2-methylpropanoylamino)quinoline-5-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-methyl-7-(2-methylpropanoylamino)quinoline-5-carboxamide is Cc1ccc2c(C(=O)NCc3ccccc3Cl)cc(NC(=O)C(C)C)cc2n1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-methyl-7-(2-methylpropanoylamino)quinoline-5-carboxamide?
The InChIKey is OHGDEZGWTYZUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O2/c1-13(2)21(27)26-16-10-18(17-9-8-14(3)25-20(17)11-16)22(28)24-12-15-6-4-5-7-19(15)23/h4-11,13H,12H2,1-3H3,(H,24,28)(H,26,27).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-methyl-7-(2-methylpropanoylamino)quinoline-5-carboxamide?
N-[(2-chlorophenyl)methyl]-2-methyl-7-(2-methylpropanoylamino)quinoline-5-carboxamide has a molecular weight of 395.89 g/mol, XLogP of 4.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-methyl-7-(2-methylpropanoylamino)quinoline-5-carboxamide is sourced from PubChem (CID 50842551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).