1-[(6-methoxy-3-pyridinyl)sulfonyl]-3,4-dihydro-2H-quinoline

C15H16N2O3S — CID 99803410

IUPAC1-[(6-methoxy-3-pyridinyl)sulfonyl]-3,4-dihydro-2H-quinoline
SMILESCOc1ccc(S(=O)(=O)N2CCCc3ccccc32)cn1
InChIInChI=1S/C15H16N2O3S/c1-20-15-9-8-13(11-16-15)21(18,19)17-10-4-6-12-5-2-3-7-14(12)17/h2-3,5,7-9,11H,4,6,10H2,1H3
InChIKeyQXKWLYQOKWPPKZ-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.23
Rot. Bonds3

About 1-[(6-methoxy-3-pyridinyl)sulfonyl]-3,4-dihydro-2H-quinoline

1-[(6-methoxy-3-pyridinyl)sulfonyl]-3,4-dihydro-2H-quinoline (PubChem CID 99803410) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is 1-[(6-methoxy-3-pyridinyl)sulfonyl]-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-[(6-methoxy-3-pyridinyl)sulfonyl]-3,4-dihydro-2H-quinoline
PubChem CID99803410
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name1-[(6-methoxy-3-pyridinyl)sulfonyl]-3,4-dihydro-2H-quinoline
SMILESCOc1ccc(S(=O)(=O)N2CCCc3ccccc32)cn1
InChIInChI=1S/C15H16N2O3S/c1-20-15-9-8-13(11-16-15)21(18,19)17-10-4-6-12-5-2-3-7-14(12)17/h2-3,5,7-9,11H,4,6,10H2,1H3
InChIKeyQXKWLYQOKWPPKZ-UHFFFAOYSA-N
XLogP2.23
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]sulfonyl]-3,4-dihydro-2H-quinoline
CID 126769651
N,N-dimethyl-5-(2,3,4,5-tetrahydro-1-benzazepin-1-ylsulfonyl)pyridin-2-amine
CID 100741484
1-(2-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinoline
CID 51169545
1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]-3,4-dihydro-2H-quinoline
CID 62998708
2-methoxy-5-piperidin-1-ylsulfonylpyridine
CID 5268012
2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-1,1,1-trifluoropropan-2-ol
CID 11567186
1-(1,2-dimethylbenzimidazol-5-yl)sulfonyl-3,4-dihydro-2H-quinoline
CID 110760434
1-methylsulfonyl-3,4-dihydro-2H-quinoline
CID 669103
ethyl 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate
CID 7938499
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzenesulfonamide
CID 31064364
1-(4-methoxy-3-methylphenyl)sulfonyl-2,3-dihydroindole
CID 2226308
4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-fluoroaniline
CID 82845024

Frequently Asked Questions

What is the IUPAC name of 1-[(6-methoxy-3-pyridinyl)sulfonyl]-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-[(6-methoxy-3-pyridinyl)sulfonyl]-3,4-dihydro-2H-quinoline (CID 99803410) is 1-[(6-methoxy-3-pyridinyl)sulfonyl]-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-[(6-methoxy-3-pyridinyl)sulfonyl]-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-[(6-methoxy-3-pyridinyl)sulfonyl]-3,4-dihydro-2H-quinoline is COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cn1.
What is the InChIKey of 1-[(6-methoxy-3-pyridinyl)sulfonyl]-3,4-dihydro-2H-quinoline?
The InChIKey is QXKWLYQOKWPPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-20-15-9-8-13(11-16-15)21(18,19)17-10-4-6-12-5-2-3-7-14(12)17/h2-3,5,7-9,11H,4,6,10H2,1H3.
What are the key properties of 1-[(6-methoxy-3-pyridinyl)sulfonyl]-3,4-dihydro-2H-quinoline?
1-[(6-methoxy-3-pyridinyl)sulfonyl]-3,4-dihydro-2H-quinoline has a molecular weight of 304.37 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-methoxy-3-pyridinyl)sulfonyl]-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 99803410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).