[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone

C24H23ClN2O3S — CID 58211183

IUPAC[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCc1ccc2c(c1)CCCN2C(=O)c1cccc(CS(=O)(=O)c2c(C)cccc2Cl)n1
InChIInChI=1S/C24H23ClN2O3S/c1-16-11-12-22-18(14-16)7-5-13-27(22)24(28)21-10-4-8-19(26-21)15-31(29,30)23-17(2)6-3-9-20(23)25/h3-4,6,8-12,14H,5,7,13,15H2,1-2H3
InChIKeyHZZFUBNSDRFSOD-UHFFFAOYSA-N
MW454.98 g/mol
LogP4.92
Rot. Bonds4

About [6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone

[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 58211183) has the molecular formula C24H23ClN2O3S and a molecular weight of 454.98 g/mol. Its IUPAC name is [6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID58211183
Molecular FormulaC24H23ClN2O3S
Molecular Weight454.98 g/mol
Exact Mass454.11
IUPAC Name[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCc1ccc2c(c1)CCCN2C(=O)c1cccc(CS(=O)(=O)c2c(C)cccc2Cl)n1
InChIInChI=1S/C24H23ClN2O3S/c1-16-11-12-22-18(14-16)7-5-13-27(22)24(28)21-10-4-8-19(26-21)15-31(29,30)23-17(2)6-3-9-20(23)25/h3-4,6,8-12,14H,5,7,13,15H2,1-2H3
InChIKeyHZZFUBNSDRFSOD-UHFFFAOYSA-N
XLogP4.92
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.98
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of [6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (CID 58211183) is [6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for [6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for [6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is Cc1ccc2c(c1)CCCN2C(=O)c1cccc(CS(=O)(=O)c2c(C)cccc2Cl)n1.
What is the InChIKey of [6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is HZZFUBNSDRFSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O3S/c1-16-11-12-22-18(14-16)7-5-13-27(22)24(28)21-10-4-8-19(26-21)15-31(29,30)23-17(2)6-3-9-20(23)25/h3-4,6,8-12,14H,5,7,13,15H2,1-2H3.
What are the key properties of [6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 454.98 g/mol, XLogP of 4.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 58211183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).