1-(1-methylimidazol-4-yl)sulfonyl-3,4-dihydro-2H-quinolin-6-amine

C13H16N4O2S — CID 62374780

IUPAC1-(1-methylimidazol-4-yl)sulfonyl-3,4-dihydro-2H-quinolin-6-amine
SMILESCn1cnc(S(=O)(=O)N2CCCc3cc(N)ccc32)c1
InChIInChI=1S/C13H16N4O2S/c1-16-8-13(15-9-16)20(18,19)17-6-2-3-10-7-11(14)4-5-12(10)17/h4-5,7-9H,2-3,6,14H2,1H3
InChIKeyPXSNDRLVGYGCRS-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.14
Rot. Bonds2

About 1-(1-methylimidazol-4-yl)sulfonyl-3,4-dihydro-2H-quinolin-6-amine

1-(1-methylimidazol-4-yl)sulfonyl-3,4-dihydro-2H-quinolin-6-amine (PubChem CID 62374780) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is 1-(1-methylimidazol-4-yl)sulfonyl-3,4-dihydro-2H-quinolin-6-amine.

Molecular Properties

Compound Name1-(1-methylimidazol-4-yl)sulfonyl-3,4-dihydro-2H-quinolin-6-amine
PubChem CID62374780
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC Name1-(1-methylimidazol-4-yl)sulfonyl-3,4-dihydro-2H-quinolin-6-amine
SMILESCn1cnc(S(=O)(=O)N2CCCc3cc(N)ccc32)c1
InChIInChI=1S/C13H16N4O2S/c1-16-8-13(15-9-16)20(18,19)17-6-2-3-10-7-11(14)4-5-12(10)17/h4-5,7-9H,2-3,6,14H2,1H3
InChIKeyPXSNDRLVGYGCRS-UHFFFAOYSA-N
XLogP1.14
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-amino-N,N-diethyl-3,4-dihydro-2H-quinoline-1-sulfonamide
CID 28783515
1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-amine
CID 16642538
1-(3-bromothiophen-2-yl)sulfonyl-3,4-dihydro-2H-quinolin-6-amine
CID 61458101
methyl 2-[(6-amino-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]acetate
CID 61456955
3-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]pyridin-2-amine
CID 62150985
N-(4-amino-2-fluorophenyl)-1-methylimidazole-4-sulfonamide
CID 62375279
1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-2,3-dihydroindol-5-amine
CID 103413778
1-(benzenesulfonyl)-2,3-dihydroindol-5-amine
CID 16642564
1,5-bis-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-1,5-benzodiazepin-7-amine
CID 22636747
1-(1-methylimidazol-4-yl)sulfonylpiperazine
CID 20735186
1-(5-bromo-3-methyltriazol-4-yl)sulfonyl-3,4-dihydro-2H-quinolin-7-amine
CID 106465544
1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-5-amine
CID 28707138

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylimidazol-4-yl)sulfonyl-3,4-dihydro-2H-quinolin-6-amine?
The IUPAC name of 1-(1-methylimidazol-4-yl)sulfonyl-3,4-dihydro-2H-quinolin-6-amine (CID 62374780) is 1-(1-methylimidazol-4-yl)sulfonyl-3,4-dihydro-2H-quinolin-6-amine.
What is the SMILES notation for 1-(1-methylimidazol-4-yl)sulfonyl-3,4-dihydro-2H-quinolin-6-amine?
The canonical SMILES for 1-(1-methylimidazol-4-yl)sulfonyl-3,4-dihydro-2H-quinolin-6-amine is Cn1cnc(S(=O)(=O)N2CCCc3cc(N)ccc32)c1.
What is the InChIKey of 1-(1-methylimidazol-4-yl)sulfonyl-3,4-dihydro-2H-quinolin-6-amine?
The InChIKey is PXSNDRLVGYGCRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-16-8-13(15-9-16)20(18,19)17-6-2-3-10-7-11(14)4-5-12(10)17/h4-5,7-9H,2-3,6,14H2,1H3.
What are the key properties of 1-(1-methylimidazol-4-yl)sulfonyl-3,4-dihydro-2H-quinolin-6-amine?
1-(1-methylimidazol-4-yl)sulfonyl-3,4-dihydro-2H-quinolin-6-amine has a molecular weight of 292.36 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylimidazol-4-yl)sulfonyl-3,4-dihydro-2H-quinolin-6-amine is sourced from PubChem (CID 62374780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).