N-[(1R)-1-(2-chloroquinolin-4-yl)ethyl]-2-methylbenzamide

C19H17ClN2O — CID 171792284

IUPACN-[(1R)-1-(2-chloroquinolin-4-yl)ethyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)N[C@H](C)c1cc(Cl)nc2ccccc12
InChIInChI=1S/C19H17ClN2O/c1-12-7-3-4-8-14(12)19(23)21-13(2)16-11-18(20)22-17-10-6-5-9-15(16)17/h3-11,13H,1-2H3,(H,21,23)/t13-/m1/s1
InChIKeyUWNUVEHZBIFNKU-CYBMUJFWSA-N
MW324.81 g/mol
LogP4.69
Rot. Bonds3

About N-[(1R)-1-(2-chloroquinolin-4-yl)ethyl]-2-methylbenzamide

N-[(1R)-1-(2-chloroquinolin-4-yl)ethyl]-2-methylbenzamide (PubChem CID 171792284) has the molecular formula C19H17ClN2O and a molecular weight of 324.81 g/mol. Its IUPAC name is N-[(1R)-1-(2-chloroquinolin-4-yl)ethyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[(1R)-1-(2-chloroquinolin-4-yl)ethyl]-2-methylbenzamide
PubChem CID171792284
Molecular FormulaC19H17ClN2O
Molecular Weight324.81 g/mol
Exact Mass324.10
IUPAC NameN-[(1R)-1-(2-chloroquinolin-4-yl)ethyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)N[C@H](C)c1cc(Cl)nc2ccccc12
InChIInChI=1S/C19H17ClN2O/c1-12-7-3-4-8-14(12)19(23)21-13(2)16-11-18(20)22-17-10-6-5-9-15(16)17/h3-11,13H,1-2H3,(H,21,23)/t13-/m1/s1
InChIKeyUWNUVEHZBIFNKU-CYBMUJFWSA-N
XLogP4.69
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2-chloroquinolin-4-yl)ethyl]-5-cyano-2-methylbenzamide
CID 171792372
N-[(1R)-1-(2-acetamidoquinolin-4-yl)ethyl]-2-methylbenzamide
CID 171792268
2-methyl-N-[(1R)-1-[2-[(1-methylpyrazol-3-yl)amino]quinolin-4-yl]ethyl]benzamide
CID 171792159
2-methyl-N-[(1R)-1-[2-(oxetan-3-ylmethoxy)quinolin-4-yl]ethyl]benzamide
CID 171792039
2-chloro-N-(3-methylbutan-2-yl)quinoline-4-carboxamide
CID 43082670
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-methylbenzamide
CID 28633869
2-methyl-N-[(1R)-1-phenylethyl]benzamide
CID 681346
N-[1-(2-methoxyphenyl)ethyl]-2-methylquinoline-4-carboxamide
CID 4883107
2-methyl-N-(2-methylquinolin-4-yl)benzamide
CID 3291896
2-chloro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]quinoline-4-carboxamide
CID 16574262
N-[1-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
CID 16967490
2-chloro-N-(1-hydroxybutan-2-yl)quinoline-4-carboxamide
CID 60655129

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-chloroquinolin-4-yl)ethyl]-2-methylbenzamide?
The IUPAC name of N-[(1R)-1-(2-chloroquinolin-4-yl)ethyl]-2-methylbenzamide (CID 171792284) is N-[(1R)-1-(2-chloroquinolin-4-yl)ethyl]-2-methylbenzamide.
What is the SMILES notation for N-[(1R)-1-(2-chloroquinolin-4-yl)ethyl]-2-methylbenzamide?
The canonical SMILES for N-[(1R)-1-(2-chloroquinolin-4-yl)ethyl]-2-methylbenzamide is Cc1ccccc1C(=O)N[C@H](C)c1cc(Cl)nc2ccccc12.
What is the InChIKey of N-[(1R)-1-(2-chloroquinolin-4-yl)ethyl]-2-methylbenzamide?
The InChIKey is UWNUVEHZBIFNKU-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H17ClN2O/c1-12-7-3-4-8-14(12)19(23)21-13(2)16-11-18(20)22-17-10-6-5-9-15(16)17/h3-11,13H,1-2H3,(H,21,23)/t13-/m1/s1.
What are the key properties of N-[(1R)-1-(2-chloroquinolin-4-yl)ethyl]-2-methylbenzamide?
N-[(1R)-1-(2-chloroquinolin-4-yl)ethyl]-2-methylbenzamide has a molecular weight of 324.81 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-chloroquinolin-4-yl)ethyl]-2-methylbenzamide is sourced from PubChem (CID 171792284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).