6-chloro-N-methyl-2-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-3,4-dihydro-1H-quinoline-7-sulfonamide

C20H19ClN4O3S — CID 39019816

IUPAC6-chloro-N-methyl-2-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-3,4-dihydro-1H-quinoline-7-sulfonamide
SMILESCN(Cc1cnn(-c2ccccc2)c1)S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2
InChIInChI=1S/C20H19ClN4O3S/c1-24(12-14-11-22-25(13-14)16-5-3-2-4-6-16)29(27,28)19-10-18-15(9-17(19)21)7-8-20(26)23-18/h2-6,9-11,13H,7-8,12H2,1H3,(H,23,26)
InChIKeyCEAAJQFSLIBWGK-UHFFFAOYSA-N
MW430.92 g/mol
LogP3.23
Rot. Bonds5

About 6-chloro-N-methyl-2-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-3,4-dihydro-1H-quinoline-7-sulfonamide

6-chloro-N-methyl-2-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-3,4-dihydro-1H-quinoline-7-sulfonamide (PubChem CID 39019816) has the molecular formula C20H19ClN4O3S and a molecular weight of 430.92 g/mol. Its IUPAC name is 6-chloro-N-methyl-2-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-3,4-dihydro-1H-quinoline-7-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-methyl-2-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-3,4-dihydro-1H-quinoline-7-sulfonamide
PubChem CID39019816
Molecular FormulaC20H19ClN4O3S
Molecular Weight430.92 g/mol
Exact Mass430.09
IUPAC Name6-chloro-N-methyl-2-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-3,4-dihydro-1H-quinoline-7-sulfonamide
SMILESCN(Cc1cnn(-c2ccccc2)c1)S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2
InChIInChI=1S/C20H19ClN4O3S/c1-24(12-14-11-22-25(13-14)16-5-3-2-4-6-16)29(27,28)19-10-18-15(9-17(19)21)7-8-20(26)23-18/h2-6,9-11,13H,7-8,12H2,1H3,(H,23,26)
InChIKeyCEAAJQFSLIBWGK-UHFFFAOYSA-N
XLogP3.23
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.92
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-methyl-2-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-3,4-dihydro-1H-quinoline-7-sulfonamide?
The IUPAC name of 6-chloro-N-methyl-2-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-3,4-dihydro-1H-quinoline-7-sulfonamide (CID 39019816) is 6-chloro-N-methyl-2-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-3,4-dihydro-1H-quinoline-7-sulfonamide.
What is the SMILES notation for 6-chloro-N-methyl-2-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-3,4-dihydro-1H-quinoline-7-sulfonamide?
The canonical SMILES for 6-chloro-N-methyl-2-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-3,4-dihydro-1H-quinoline-7-sulfonamide is CN(Cc1cnn(-c2ccccc2)c1)S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2.
What is the InChIKey of 6-chloro-N-methyl-2-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-3,4-dihydro-1H-quinoline-7-sulfonamide?
The InChIKey is CEAAJQFSLIBWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O3S/c1-24(12-14-11-22-25(13-14)16-5-3-2-4-6-16)29(27,28)19-10-18-15(9-17(19)21)7-8-20(26)23-18/h2-6,9-11,13H,7-8,12H2,1H3,(H,23,26).
What are the key properties of 6-chloro-N-methyl-2-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-3,4-dihydro-1H-quinoline-7-sulfonamide?
6-chloro-N-methyl-2-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-3,4-dihydro-1H-quinoline-7-sulfonamide has a molecular weight of 430.92 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-methyl-2-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-3,4-dihydro-1H-quinoline-7-sulfonamide is sourced from PubChem (CID 39019816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).