N-[(2-chloroquinolin-7-yl)methyl]-N-(2-methyl-6-methylsulfonylphenyl)acetamide

C20H19ClN2O3S — CID 171502111

IUPACN-[(2-chloroquinolin-7-yl)methyl]-N-(2-methyl-6-methylsulfonylphenyl)acetamide
SMILESCC(=O)N(Cc1ccc2ccc(Cl)nc2c1)c1c(C)cccc1S(C)(=O)=O
InChIInChI=1S/C20H19ClN2O3S/c1-13-5-4-6-18(27(3,25)26)20(13)23(14(2)24)12-15-7-8-16-9-10-19(21)22-17(16)11-15/h4-11H,12H2,1-3H3
InChIKeyNILHSZFNBCGLBJ-UHFFFAOYSA-N
MW402.90 g/mol
LogP4.15
Rot. Bonds4

About N-[(2-chloroquinolin-7-yl)methyl]-N-(2-methyl-6-methylsulfonylphenyl)acetamide

N-[(2-chloroquinolin-7-yl)methyl]-N-(2-methyl-6-methylsulfonylphenyl)acetamide (PubChem CID 171502111) has the molecular formula C20H19ClN2O3S and a molecular weight of 402.90 g/mol. Its IUPAC name is N-[(2-chloroquinolin-7-yl)methyl]-N-(2-methyl-6-methylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-[(2-chloroquinolin-7-yl)methyl]-N-(2-methyl-6-methylsulfonylphenyl)acetamide
PubChem CID171502111
Molecular FormulaC20H19ClN2O3S
Molecular Weight402.90 g/mol
Exact Mass402.08
IUPAC NameN-[(2-chloroquinolin-7-yl)methyl]-N-(2-methyl-6-methylsulfonylphenyl)acetamide
SMILESCC(=O)N(Cc1ccc2ccc(Cl)nc2c1)c1c(C)cccc1S(C)(=O)=O
InChIInChI=1S/C20H19ClN2O3S/c1-13-5-4-6-18(27(3,25)26)20(13)23(14(2)24)12-15-7-8-16-9-10-19(21)22-17(16)11-15/h4-11H,12H2,1-3H3
InChIKeyNILHSZFNBCGLBJ-UHFFFAOYSA-N
XLogP4.15
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.90
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-aminoquinolin-7-yl)methyl]-N-(2-methyl-6-methylsulfonylphenyl)acetamide
CID 171502367
N-[(2-aminoquinolin-7-yl)methyl]-N-(2-chloro-6-methylsulfonylphenyl)acetamide
CID 171501575
N-[(2-chloroquinolin-7-yl)methyl]-N-(2-methylsulfonylphenyl)pyridine-2-carboxamide
CID 171501824
N-[(2-chloroquinolin-7-yl)methyl]-N-(2-methylsulfonylphenyl)oxetane-3-carboxamide
CID 171501338
N-[(2-chloroquinolin-7-yl)methyl]-N-quinolin-8-ylacetamide
CID 171501804
N-[(2-chloroquinolin-7-yl)methyl]-N-(4-fluoro-2-methylsulfonylphenyl)-2-methylpyrimidine-5-carboxamide
CID 171502168
methyl 3-[acetyl-[(2-chloroquinolin-7-yl)methyl]amino]pyridine-2-carboxylate
CID 171502149
7-[(N-acetyl-2-methylsulfonylanilino)methyl]-2-aminoquinoline-3-carboxamide
CID 171502116
N-[(2-methylquinolin-7-yl)methyl]-N-(2-methylsulfonyl-3-pyridinyl)acetamide
CID 171501797
N-(3-chloro-2,6-dimethylphenyl)-N-[(4,6-dimethylpyrimidin-2-yl)methyl]acetamide
CID 70552983
N-[(2-aminoquinolin-7-yl)methyl]-N-(2-methylsulfonylphenyl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 171501151
N-[(2-aminoquinolin-7-yl)methyl]-N-[2-(hydroxymethyl)-3-pyridinyl]acetamide
CID 171501102

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloroquinolin-7-yl)methyl]-N-(2-methyl-6-methylsulfonylphenyl)acetamide?
The IUPAC name of N-[(2-chloroquinolin-7-yl)methyl]-N-(2-methyl-6-methylsulfonylphenyl)acetamide (CID 171502111) is N-[(2-chloroquinolin-7-yl)methyl]-N-(2-methyl-6-methylsulfonylphenyl)acetamide.
What is the SMILES notation for N-[(2-chloroquinolin-7-yl)methyl]-N-(2-methyl-6-methylsulfonylphenyl)acetamide?
The canonical SMILES for N-[(2-chloroquinolin-7-yl)methyl]-N-(2-methyl-6-methylsulfonylphenyl)acetamide is CC(=O)N(Cc1ccc2ccc(Cl)nc2c1)c1c(C)cccc1S(C)(=O)=O.
What is the InChIKey of N-[(2-chloroquinolin-7-yl)methyl]-N-(2-methyl-6-methylsulfonylphenyl)acetamide?
The InChIKey is NILHSZFNBCGLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O3S/c1-13-5-4-6-18(27(3,25)26)20(13)23(14(2)24)12-15-7-8-16-9-10-19(21)22-17(16)11-15/h4-11H,12H2,1-3H3.
What are the key properties of N-[(2-chloroquinolin-7-yl)methyl]-N-(2-methyl-6-methylsulfonylphenyl)acetamide?
N-[(2-chloroquinolin-7-yl)methyl]-N-(2-methyl-6-methylsulfonylphenyl)acetamide has a molecular weight of 402.90 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloroquinolin-7-yl)methyl]-N-(2-methyl-6-methylsulfonylphenyl)acetamide is sourced from PubChem (CID 171502111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).