4,4-dimethyl-2-(3-methylsulfonylphenyl)-2,3-dihydro-1H-quinoline-6-carboxamide

C19H22N2O3S — CID 70496862

IUPAC4,4-dimethyl-2-(3-methylsulfonylphenyl)-2,3-dihydro-1H-quinoline-6-carboxamide
SMILESCC1(C)CC(c2cccc(S(C)(=O)=O)c2)Nc2ccc(C(N)=O)cc21
InChIInChI=1S/C19H22N2O3S/c1-19(2)11-17(12-5-4-6-14(9-12)25(3,23)24)21-16-8-7-13(18(20)22)10-15(16)19/h4-10,17,21H,11H2,1-3H3,(H2,20,22)
InChIKeyOCSXLVUGUPNGCI-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.02
Rot. Bonds3

About 4,4-dimethyl-2-(3-methylsulfonylphenyl)-2,3-dihydro-1H-quinoline-6-carboxamide

4,4-dimethyl-2-(3-methylsulfonylphenyl)-2,3-dihydro-1H-quinoline-6-carboxamide (PubChem CID 70496862) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is 4,4-dimethyl-2-(3-methylsulfonylphenyl)-2,3-dihydro-1H-quinoline-6-carboxamide.

Molecular Properties

Compound Name4,4-dimethyl-2-(3-methylsulfonylphenyl)-2,3-dihydro-1H-quinoline-6-carboxamide
PubChem CID70496862
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name4,4-dimethyl-2-(3-methylsulfonylphenyl)-2,3-dihydro-1H-quinoline-6-carboxamide
SMILESCC1(C)CC(c2cccc(S(C)(=O)=O)c2)Nc2ccc(C(N)=O)cc21
InChIInChI=1S/C19H22N2O3S/c1-19(2)11-17(12-5-4-6-14(9-12)25(3,23)24)21-16-8-7-13(18(20)22)10-15(16)19/h4-10,17,21H,11H2,1-3H3,(H2,20,22)
InChIKeyOCSXLVUGUPNGCI-UHFFFAOYSA-N
XLogP3.02
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-(3-methylsulfonylphenyl)-2,3-dihydro-1H-quinoline-6-carboxamide?
The IUPAC name of 4,4-dimethyl-2-(3-methylsulfonylphenyl)-2,3-dihydro-1H-quinoline-6-carboxamide (CID 70496862) is 4,4-dimethyl-2-(3-methylsulfonylphenyl)-2,3-dihydro-1H-quinoline-6-carboxamide.
What is the SMILES notation for 4,4-dimethyl-2-(3-methylsulfonylphenyl)-2,3-dihydro-1H-quinoline-6-carboxamide?
The canonical SMILES for 4,4-dimethyl-2-(3-methylsulfonylphenyl)-2,3-dihydro-1H-quinoline-6-carboxamide is CC1(C)CC(c2cccc(S(C)(=O)=O)c2)Nc2ccc(C(N)=O)cc21.
What is the InChIKey of 4,4-dimethyl-2-(3-methylsulfonylphenyl)-2,3-dihydro-1H-quinoline-6-carboxamide?
The InChIKey is OCSXLVUGUPNGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-19(2)11-17(12-5-4-6-14(9-12)25(3,23)24)21-16-8-7-13(18(20)22)10-15(16)19/h4-10,17,21H,11H2,1-3H3,(H2,20,22).
What are the key properties of 4,4-dimethyl-2-(3-methylsulfonylphenyl)-2,3-dihydro-1H-quinoline-6-carboxamide?
4,4-dimethyl-2-(3-methylsulfonylphenyl)-2,3-dihydro-1H-quinoline-6-carboxamide has a molecular weight of 358.46 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-(3-methylsulfonylphenyl)-2,3-dihydro-1H-quinoline-6-carboxamide is sourced from PubChem (CID 70496862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).