3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(3-methyl-2-pyridinyl)benzamide

C22H21N3O3S — CID 24819723

IUPAC3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(3-methyl-2-pyridinyl)benzamide
SMILESCc1cccnc1NC(=O)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1
InChIInChI=1S/C22H21N3O3S/c1-16-7-5-13-23-21(16)24-22(26)18-9-4-11-19(15-18)29(27,28)25-14-6-10-17-8-2-3-12-20(17)25/h2-5,7-9,11-13,15H,6,10,14H2,1H3,(H,23,24,26)
InChIKeyMOTYSJJSCLTHLS-UHFFFAOYSA-N
MW407.50 g/mol
LogP3.78
Rot. Bonds4

About 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(3-methyl-2-pyridinyl)benzamide

3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(3-methyl-2-pyridinyl)benzamide (PubChem CID 24819723) has the molecular formula C22H21N3O3S and a molecular weight of 407.50 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(3-methyl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(3-methyl-2-pyridinyl)benzamide
PubChem CID24819723
Molecular FormulaC22H21N3O3S
Molecular Weight407.50 g/mol
Exact Mass407.13
IUPAC Name3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(3-methyl-2-pyridinyl)benzamide
SMILESCc1cccnc1NC(=O)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1
InChIInChI=1S/C22H21N3O3S/c1-16-7-5-13-23-21(16)24-22(26)18-9-4-11-19(15-18)29(27,28)25-14-6-10-17-8-2-3-12-20(17)25/h2-5,7-9,11-13,15H,6,10,14H2,1H3,(H,23,24,26)
InChIKeyMOTYSJJSCLTHLS-UHFFFAOYSA-N
XLogP3.78
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(3-methyl-2-pyridinyl)benzamide?
The IUPAC name of 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(3-methyl-2-pyridinyl)benzamide (CID 24819723) is 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(3-methyl-2-pyridinyl)benzamide.
What is the SMILES notation for 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(3-methyl-2-pyridinyl)benzamide?
The canonical SMILES for 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(3-methyl-2-pyridinyl)benzamide is Cc1cccnc1NC(=O)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1.
What is the InChIKey of 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(3-methyl-2-pyridinyl)benzamide?
The InChIKey is MOTYSJJSCLTHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3S/c1-16-7-5-13-23-21(16)24-22(26)18-9-4-11-19(15-18)29(27,28)25-14-6-10-17-8-2-3-12-20(17)25/h2-5,7-9,11-13,15H,6,10,14H2,1H3,(H,23,24,26).
What are the key properties of 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(3-methyl-2-pyridinyl)benzamide?
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(3-methyl-2-pyridinyl)benzamide has a molecular weight of 407.50 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(3-methyl-2-pyridinyl)benzamide is sourced from PubChem (CID 24819723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).