1-(5-bromo-3-methyltriazol-4-yl)sulfonyl-3,4-dihydro-2H-quinolin-7-amine

C12H14BrN5O2S — CID 106465544

IUPAC1-(5-bromo-3-methyltriazol-4-yl)sulfonyl-3,4-dihydro-2H-quinolin-7-amine
SMILESCn1nnc(Br)c1S(=O)(=O)N1CCCc2ccc(N)cc21
InChIInChI=1S/C12H14BrN5O2S/c1-17-12(11(13)15-16-17)21(19,20)18-6-2-3-8-4-5-9(14)7-10(8)18/h4-5,7H,2-3,6,14H2,1H3
InChIKeyFQELBLSYCRZWIY-UHFFFAOYSA-N
MW372.25 g/mol
LogP1.30
Rot. Bonds2

About 1-(5-bromo-3-methyltriazol-4-yl)sulfonyl-3,4-dihydro-2H-quinolin-7-amine

1-(5-bromo-3-methyltriazol-4-yl)sulfonyl-3,4-dihydro-2H-quinolin-7-amine (PubChem CID 106465544) has the molecular formula C12H14BrN5O2S and a molecular weight of 372.25 g/mol. Its IUPAC name is 1-(5-bromo-3-methyltriazol-4-yl)sulfonyl-3,4-dihydro-2H-quinolin-7-amine.

Molecular Properties

Compound Name1-(5-bromo-3-methyltriazol-4-yl)sulfonyl-3,4-dihydro-2H-quinolin-7-amine
PubChem CID106465544
Molecular FormulaC12H14BrN5O2S
Molecular Weight372.25 g/mol
Exact Mass371.01
IUPAC Name1-(5-bromo-3-methyltriazol-4-yl)sulfonyl-3,4-dihydro-2H-quinolin-7-amine
SMILESCn1nnc(Br)c1S(=O)(=O)N1CCCc2ccc(N)cc21
InChIInChI=1S/C12H14BrN5O2S/c1-17-12(11(13)15-16-17)21(19,20)18-6-2-3-8-4-5-9(14)7-10(8)18/h4-5,7H,2-3,6,14H2,1H3
InChIKeyFQELBLSYCRZWIY-UHFFFAOYSA-N
XLogP1.30
TPSA94.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.25
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(5-bromo-3-methyltriazol-4-yl)sulfonyl-2,3-dihydroindol-6-amine
CID 106465446
7-amino-N,N-dimethyl-3,4-dihydro-2H-quinoline-1-sulfonamide
CID 28707191
1-(5-bromo-3-methyltriazol-4-yl)sulfonyl-4-methyl-2,3-dihydroquinoxaline
CID 106468005
1-(3-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-amine
CID 62267076
1-(3-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-amine
CID 62266376
7-amino-N-propyl-3,4-dihydro-2H-quinoline-1-sulfonamide
CID 114804730
1-(3-bromothiophen-2-yl)sulfonyl-3,4-dihydro-2H-quinolin-6-amine
CID 61458101
1-(2,4-dimethylphenyl)sulfonyl-2,3-dihydroindol-6-amine
CID 28707117
1-(1-methylimidazol-4-yl)sulfonyl-3,4-dihydro-2H-quinolin-6-amine
CID 62374780
ethyl N-[(7-amino-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]carbamate
CID 114461698
1-(5-bromo-4-chlorothiophen-2-yl)sulfonyl-2,3-dihydroindol-6-amine
CID 80578213
N-[(5-amino-2-hydroxyphenyl)methyl]-5-bromo-3-methyltriazole-4-sulfonamide
CID 106465490

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-methyltriazol-4-yl)sulfonyl-3,4-dihydro-2H-quinolin-7-amine?
The IUPAC name of 1-(5-bromo-3-methyltriazol-4-yl)sulfonyl-3,4-dihydro-2H-quinolin-7-amine (CID 106465544) is 1-(5-bromo-3-methyltriazol-4-yl)sulfonyl-3,4-dihydro-2H-quinolin-7-amine.
What is the SMILES notation for 1-(5-bromo-3-methyltriazol-4-yl)sulfonyl-3,4-dihydro-2H-quinolin-7-amine?
The canonical SMILES for 1-(5-bromo-3-methyltriazol-4-yl)sulfonyl-3,4-dihydro-2H-quinolin-7-amine is Cn1nnc(Br)c1S(=O)(=O)N1CCCc2ccc(N)cc21.
What is the InChIKey of 1-(5-bromo-3-methyltriazol-4-yl)sulfonyl-3,4-dihydro-2H-quinolin-7-amine?
The InChIKey is FQELBLSYCRZWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN5O2S/c1-17-12(11(13)15-16-17)21(19,20)18-6-2-3-8-4-5-9(14)7-10(8)18/h4-5,7H,2-3,6,14H2,1H3.
What are the key properties of 1-(5-bromo-3-methyltriazol-4-yl)sulfonyl-3,4-dihydro-2H-quinolin-7-amine?
1-(5-bromo-3-methyltriazol-4-yl)sulfonyl-3,4-dihydro-2H-quinolin-7-amine has a molecular weight of 372.25 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-methyltriazol-4-yl)sulfonyl-3,4-dihydro-2H-quinolin-7-amine is sourced from PubChem (CID 106465544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).