1-methylsulfonyl-N-(4-propan-2-ylphenyl)-3,4-dihydro-2H-quinoline-6-carboxamide

C20H24N2O3S — CID 7602853

IUPAC1-methylsulfonyl-N-(4-propan-2-ylphenyl)-3,4-dihydro-2H-quinoline-6-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)cc1
InChIInChI=1S/C20H24N2O3S/c1-14(2)15-6-9-18(10-7-15)21-20(23)17-8-11-19-16(13-17)5-4-12-22(19)26(3,24)25/h6-11,13-14H,4-5,12H2,1-3H3,(H,21,23)
InChIKeyXBWRZWYNHAGJKS-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.77
Rot. Bonds4

About 1-methylsulfonyl-N-(4-propan-2-ylphenyl)-3,4-dihydro-2H-quinoline-6-carboxamide

1-methylsulfonyl-N-(4-propan-2-ylphenyl)-3,4-dihydro-2H-quinoline-6-carboxamide (PubChem CID 7602853) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is 1-methylsulfonyl-N-(4-propan-2-ylphenyl)-3,4-dihydro-2H-quinoline-6-carboxamide.

Molecular Properties

Compound Name1-methylsulfonyl-N-(4-propan-2-ylphenyl)-3,4-dihydro-2H-quinoline-6-carboxamide
PubChem CID7602853
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name1-methylsulfonyl-N-(4-propan-2-ylphenyl)-3,4-dihydro-2H-quinoline-6-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)cc1
InChIInChI=1S/C20H24N2O3S/c1-14(2)15-6-9-18(10-7-15)21-20(23)17-8-11-19-16(13-17)5-4-12-22(19)26(3,24)25/h6-11,13-14H,4-5,12H2,1-3H3,(H,21,23)
InChIKeyXBWRZWYNHAGJKS-UHFFFAOYSA-N
XLogP3.77
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-(4-propan-2-ylphenyl)-3,4-dihydro-2H-quinoline-6-carboxamide?
The IUPAC name of 1-methylsulfonyl-N-(4-propan-2-ylphenyl)-3,4-dihydro-2H-quinoline-6-carboxamide (CID 7602853) is 1-methylsulfonyl-N-(4-propan-2-ylphenyl)-3,4-dihydro-2H-quinoline-6-carboxamide.
What is the SMILES notation for 1-methylsulfonyl-N-(4-propan-2-ylphenyl)-3,4-dihydro-2H-quinoline-6-carboxamide?
The canonical SMILES for 1-methylsulfonyl-N-(4-propan-2-ylphenyl)-3,4-dihydro-2H-quinoline-6-carboxamide is CC(C)c1ccc(NC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)cc1.
What is the InChIKey of 1-methylsulfonyl-N-(4-propan-2-ylphenyl)-3,4-dihydro-2H-quinoline-6-carboxamide?
The InChIKey is XBWRZWYNHAGJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-14(2)15-6-9-18(10-7-15)21-20(23)17-8-11-19-16(13-17)5-4-12-22(19)26(3,24)25/h6-11,13-14H,4-5,12H2,1-3H3,(H,21,23).
What are the key properties of 1-methylsulfonyl-N-(4-propan-2-ylphenyl)-3,4-dihydro-2H-quinoline-6-carboxamide?
1-methylsulfonyl-N-(4-propan-2-ylphenyl)-3,4-dihydro-2H-quinoline-6-carboxamide has a molecular weight of 372.49 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-(4-propan-2-ylphenyl)-3,4-dihydro-2H-quinoline-6-carboxamide is sourced from PubChem (CID 7602853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).