1-(1,2-dimethylimidazol-4-yl)sulfonyl-3,4-dihydro-2H-quinolin-5-amine

C14H18N4O2S — CID 62061950

IUPAC1-(1,2-dimethylimidazol-4-yl)sulfonyl-3,4-dihydro-2H-quinolin-5-amine
SMILESCc1nc(S(=O)(=O)N2CCCc3c(N)cccc32)cn1C
InChIInChI=1S/C14H18N4O2S/c1-10-16-14(9-17(10)2)21(19,20)18-8-4-5-11-12(15)6-3-7-13(11)18/h3,6-7,9H,4-5,8,15H2,1-2H3
InChIKeyAERWTKHLQPCMKE-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.45
Rot. Bonds2

About 1-(1,2-dimethylimidazol-4-yl)sulfonyl-3,4-dihydro-2H-quinolin-5-amine

1-(1,2-dimethylimidazol-4-yl)sulfonyl-3,4-dihydro-2H-quinolin-5-amine (PubChem CID 62061950) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is 1-(1,2-dimethylimidazol-4-yl)sulfonyl-3,4-dihydro-2H-quinolin-5-amine.

Molecular Properties

Compound Name1-(1,2-dimethylimidazol-4-yl)sulfonyl-3,4-dihydro-2H-quinolin-5-amine
PubChem CID62061950
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name1-(1,2-dimethylimidazol-4-yl)sulfonyl-3,4-dihydro-2H-quinolin-5-amine
SMILESCc1nc(S(=O)(=O)N2CCCc3c(N)cccc32)cn1C
InChIInChI=1S/C14H18N4O2S/c1-10-16-14(9-17(10)2)21(19,20)18-8-4-5-11-12(15)6-3-7-13(11)18/h3,6-7,9H,4-5,8,15H2,1-2H3
InChIKeyAERWTKHLQPCMKE-UHFFFAOYSA-N
XLogP1.45
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dimethylimidazol-4-yl)sulfonyl-3,4-dihydro-2H-quinolin-5-amine?
The IUPAC name of 1-(1,2-dimethylimidazol-4-yl)sulfonyl-3,4-dihydro-2H-quinolin-5-amine (CID 62061950) is 1-(1,2-dimethylimidazol-4-yl)sulfonyl-3,4-dihydro-2H-quinolin-5-amine.
What is the SMILES notation for 1-(1,2-dimethylimidazol-4-yl)sulfonyl-3,4-dihydro-2H-quinolin-5-amine?
The canonical SMILES for 1-(1,2-dimethylimidazol-4-yl)sulfonyl-3,4-dihydro-2H-quinolin-5-amine is Cc1nc(S(=O)(=O)N2CCCc3c(N)cccc32)cn1C.
What is the InChIKey of 1-(1,2-dimethylimidazol-4-yl)sulfonyl-3,4-dihydro-2H-quinolin-5-amine?
The InChIKey is AERWTKHLQPCMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-10-16-14(9-17(10)2)21(19,20)18-8-4-5-11-12(15)6-3-7-13(11)18/h3,6-7,9H,4-5,8,15H2,1-2H3.
What are the key properties of 1-(1,2-dimethylimidazol-4-yl)sulfonyl-3,4-dihydro-2H-quinolin-5-amine?
1-(1,2-dimethylimidazol-4-yl)sulfonyl-3,4-dihydro-2H-quinolin-5-amine has a molecular weight of 306.39 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dimethylimidazol-4-yl)sulfonyl-3,4-dihydro-2H-quinolin-5-amine is sourced from PubChem (CID 62061950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).