1-[2-(2-methylpropylsulfonyl)acetyl]-3,4-dihydro-2H-quinoline-5-carboxamide

C16H22N2O4S — CID 86998450

IUPAC1-[2-(2-methylpropylsulfonyl)acetyl]-3,4-dihydro-2H-quinoline-5-carboxamide
SMILESCC(C)CS(=O)(=O)CC(=O)N1CCCc2c(C(N)=O)cccc21
InChIInChI=1S/C16H22N2O4S/c1-11(2)9-23(21,22)10-15(19)18-8-4-6-12-13(16(17)20)5-3-7-14(12)18/h3,5,7,11H,4,6,8-10H2,1-2H3,(H2,17,20)
InChIKeyRIPZQICLAFTESR-UHFFFAOYSA-N
MW338.43 g/mol
LogP1.14
Rot. Bonds5

About 1-[2-(2-methylpropylsulfonyl)acetyl]-3,4-dihydro-2H-quinoline-5-carboxamide

1-[2-(2-methylpropylsulfonyl)acetyl]-3,4-dihydro-2H-quinoline-5-carboxamide (PubChem CID 86998450) has the molecular formula C16H22N2O4S and a molecular weight of 338.43 g/mol. Its IUPAC name is 1-[2-(2-methylpropylsulfonyl)acetyl]-3,4-dihydro-2H-quinoline-5-carboxamide.

Molecular Properties

Compound Name1-[2-(2-methylpropylsulfonyl)acetyl]-3,4-dihydro-2H-quinoline-5-carboxamide
PubChem CID86998450
Molecular FormulaC16H22N2O4S
Molecular Weight338.43 g/mol
Exact Mass338.13
IUPAC Name1-[2-(2-methylpropylsulfonyl)acetyl]-3,4-dihydro-2H-quinoline-5-carboxamide
SMILESCC(C)CS(=O)(=O)CC(=O)N1CCCc2c(C(N)=O)cccc21
InChIInChI=1S/C16H22N2O4S/c1-11(2)9-23(21,22)10-15(19)18-8-4-6-12-13(16(17)20)5-3-7-14(12)18/h3,5,7,11H,4,6,8-10H2,1-2H3,(H2,17,20)
InChIKeyRIPZQICLAFTESR-UHFFFAOYSA-N
XLogP1.14
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methylbutanoyl)-3,4-dihydro-2H-quinoline-5-carboxamide
CID 86998468
1-[2-(cyclopropylmethoxy)acetyl]-3,4-dihydro-2H-quinoline-5-carboxamide
CID 78884754
1-(2-propan-2-ylsulfanylacetyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 60831334
1-[2-(propan-2-ylamino)acetyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 61161658
1-[2-(4-methoxyphenyl)sulfanylpropanoyl]-3,4-dihydro-2H-quinoline-5-carboxamide
CID 87025187
1-(2,4-dimethylbenzoyl)-3,4-dihydro-2H-quinoline-5-carboxamide
CID 86982066
1-(3-isoquinolin-4-yl-2-methylpropanoyl)-3,4-dihydro-2H-quinoline-5-carboxamide
CID 154779553
1-[3-[4-(trifluoromethoxy)phenyl]propanoyl]-3,4-dihydro-2H-quinoline-5-carboxamide
CID 86777202
1-[3-(4-methylphenyl)pent-2-enoyl]-3,4-dihydro-2H-quinoline-5-carboxamide
CID 126807476
1-(3-methoxy-3-methylbutanoyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 103018301
1-(5-hydroxypentyl)-3,4-dihydro-2H-quinoline-5-carboxamide
CID 111495995
1-[(2S,3S)-2-amino-3-methylpentanoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 61159737

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylpropylsulfonyl)acetyl]-3,4-dihydro-2H-quinoline-5-carboxamide?
The IUPAC name of 1-[2-(2-methylpropylsulfonyl)acetyl]-3,4-dihydro-2H-quinoline-5-carboxamide (CID 86998450) is 1-[2-(2-methylpropylsulfonyl)acetyl]-3,4-dihydro-2H-quinoline-5-carboxamide.
What is the SMILES notation for 1-[2-(2-methylpropylsulfonyl)acetyl]-3,4-dihydro-2H-quinoline-5-carboxamide?
The canonical SMILES for 1-[2-(2-methylpropylsulfonyl)acetyl]-3,4-dihydro-2H-quinoline-5-carboxamide is CC(C)CS(=O)(=O)CC(=O)N1CCCc2c(C(N)=O)cccc21.
What is the InChIKey of 1-[2-(2-methylpropylsulfonyl)acetyl]-3,4-dihydro-2H-quinoline-5-carboxamide?
The InChIKey is RIPZQICLAFTESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4S/c1-11(2)9-23(21,22)10-15(19)18-8-4-6-12-13(16(17)20)5-3-7-14(12)18/h3,5,7,11H,4,6,8-10H2,1-2H3,(H2,17,20).
What are the key properties of 1-[2-(2-methylpropylsulfonyl)acetyl]-3,4-dihydro-2H-quinoline-5-carboxamide?
1-[2-(2-methylpropylsulfonyl)acetyl]-3,4-dihydro-2H-quinoline-5-carboxamide has a molecular weight of 338.43 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylpropylsulfonyl)acetyl]-3,4-dihydro-2H-quinoline-5-carboxamide is sourced from PubChem (CID 86998450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).