1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]-3,4-dihydro-2H-quinoline

C13H15N3O2S — CID 62998708

IUPAC1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]-3,4-dihydro-2H-quinoline
SMILESCc1ncc(S(=O)(=O)N2CCCc3ccccc32)[nH]1
InChIInChI=1S/C13H15N3O2S/c1-10-14-9-13(15-10)19(17,18)16-8-4-6-11-5-2-3-7-12(11)16/h2-3,5,7,9H,4,6,8H2,1H3,(H,14,15)
InChIKeyAQZIAGLCWQLFTQ-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.86
Rot. Bonds2

About 1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]-3,4-dihydro-2H-quinoline

1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]-3,4-dihydro-2H-quinoline (PubChem CID 62998708) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]-3,4-dihydro-2H-quinoline
PubChem CID62998708
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]-3,4-dihydro-2H-quinoline
SMILESCc1ncc(S(=O)(=O)N2CCCc3ccccc32)[nH]1
InChIInChI=1S/C13H15N3O2S/c1-10-14-9-13(15-10)19(17,18)16-8-4-6-11-5-2-3-7-12(11)16/h2-3,5,7,9H,4,6,8H2,1H3,(H,14,15)
InChIKeyAQZIAGLCWQLFTQ-UHFFFAOYSA-N
XLogP1.86
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(6-methoxy-3-pyridinyl)sulfonyl]-3,4-dihydro-2H-quinoline
CID 99803410
5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-6-methyl-1H-pyrimidine-2,4-dione
CID 6624044
1-methylsulfonyl-3,4-dihydro-2H-quinoline
CID 669103
4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-1H-pyrazol-5-amine
CID 60814697
1-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]sulfonyl]-3,4-dihydro-2H-quinoline
CID 126769651
1-(2-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinoline
CID 51169545
N,N-dimethyl-5-(2,3,4,5-tetrahydro-1-benzazepin-1-ylsulfonyl)pyridin-2-amine
CID 100741484
5-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-methyl-1H-pyrimidin-6-one
CID 110857161
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N,N-dimethyl-1,2,4-triazole-1-sulfonamide
CID 142476598
4-[(2-methyl-1H-imidazol-5-yl)sulfonyl]-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 65365291
1-(4-methylpiperazin-1-yl)sulfonyl-3,4-dihydro-2H-quinoline
CID 110865622
2-[(3S)-1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]-2,3-dihydroindol-3-yl]acetic acid
CID 99811554

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]-3,4-dihydro-2H-quinoline (CID 62998708) is 1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]-3,4-dihydro-2H-quinoline is Cc1ncc(S(=O)(=O)N2CCCc3ccccc32)[nH]1.
What is the InChIKey of 1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]-3,4-dihydro-2H-quinoline?
The InChIKey is AQZIAGLCWQLFTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-10-14-9-13(15-10)19(17,18)16-8-4-6-11-5-2-3-7-12(11)16/h2-3,5,7,9H,4,6,8H2,1H3,(H,14,15).
What are the key properties of 1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]-3,4-dihydro-2H-quinoline?
1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]-3,4-dihydro-2H-quinoline has a molecular weight of 277.35 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 62998708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).