N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]-2-(4-methylphenyl)acetamide

C20H22N2O2 — CID 110781697

IUPACN-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)NCc2ccc3c(c2)CCC(=O)N3C)cc1
InChIInChI=1S/C20H22N2O2/c1-14-3-5-15(6-4-14)12-19(23)21-13-16-7-9-18-17(11-16)8-10-20(24)22(18)2/h3-7,9,11H,8,10,12-13H2,1-2H3,(H,21,23)
InChIKeyKCXKXYHZQFPLLF-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.76
Rot. Bonds4

About N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]-2-(4-methylphenyl)acetamide

N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]-2-(4-methylphenyl)acetamide (PubChem CID 110781697) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]-2-(4-methylphenyl)acetamide
PubChem CID110781697
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC NameN-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)NCc2ccc3c(c2)CCC(=O)N3C)cc1
InChIInChI=1S/C20H22N2O2/c1-14-3-5-15(6-4-14)12-19(23)21-13-16-7-9-18-17(11-16)8-10-20(24)22(18)2/h3-7,9,11H,8,10,12-13H2,1-2H3,(H,21,23)
InChIKeyKCXKXYHZQFPLLF-UHFFFAOYSA-N
XLogP2.76
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]butanamide
CID 110781637
4-methyl-N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]benzamide
CID 110781426
N-[2-(dimethylamino)ethyl]-2-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)acetamide
CID 110768552
2-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-N-pentylacetamide
CID 110768592
N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]-2-(2-methylphenoxy)acetamide
CID 110781704
3-(2-fluorophenyl)-N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]propanamide
CID 110781694
N-[2-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)ethyl]-2-(2-methylphenyl)acetamide
CID 110788734
N-cyclopentyl-2-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)acetamide
CID 110768543
N-benzyl-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide
CID 110768263
benzyl N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]carbamate
CID 110781684
3-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methylamino]propanoic acid
CID 82501036
1,6-dimethyl-3,4-dihydroquinolin-2-one
CID 20546933

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]-2-(4-methylphenyl)acetamide?
The IUPAC name of N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]-2-(4-methylphenyl)acetamide (CID 110781697) is N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]-2-(4-methylphenyl)acetamide.
What is the SMILES notation for N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]-2-(4-methylphenyl)acetamide?
The canonical SMILES for N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]-2-(4-methylphenyl)acetamide is Cc1ccc(CC(=O)NCc2ccc3c(c2)CCC(=O)N3C)cc1.
What is the InChIKey of N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]-2-(4-methylphenyl)acetamide?
The InChIKey is KCXKXYHZQFPLLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-14-3-5-15(6-4-14)12-19(23)21-13-16-7-9-18-17(11-16)8-10-20(24)22(18)2/h3-7,9,11H,8,10,12-13H2,1-2H3,(H,21,23).
What are the key properties of N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]-2-(4-methylphenyl)acetamide?
N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]-2-(4-methylphenyl)acetamide has a molecular weight of 322.41 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 110781697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).