1-(1H-pyrazol-4-ylsulfonyl)-3,4-dihydro-2H-quinolin-5-amine

C12H14N4O2S — CID 54880965

IUPAC1-(1H-pyrazol-4-ylsulfonyl)-3,4-dihydro-2H-quinolin-5-amine
SMILESNc1cccc2c1CCCN2S(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C12H14N4O2S/c13-11-4-1-5-12-10(11)3-2-6-16(12)19(17,18)9-7-14-15-8-9/h1,4-5,7-8H,2-3,6,13H2,(H,14,15)
InChIKeyFLTAFLCROJGGQX-UHFFFAOYSA-N
MW278.34 g/mol
LogP1.13
Rot. Bonds2

About 1-(1H-pyrazol-4-ylsulfonyl)-3,4-dihydro-2H-quinolin-5-amine

1-(1H-pyrazol-4-ylsulfonyl)-3,4-dihydro-2H-quinolin-5-amine (PubChem CID 54880965) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is 1-(1H-pyrazol-4-ylsulfonyl)-3,4-dihydro-2H-quinolin-5-amine.

Molecular Properties

Compound Name1-(1H-pyrazol-4-ylsulfonyl)-3,4-dihydro-2H-quinolin-5-amine
PubChem CID54880965
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC Name1-(1H-pyrazol-4-ylsulfonyl)-3,4-dihydro-2H-quinolin-5-amine
SMILESNc1cccc2c1CCCN2S(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C12H14N4O2S/c13-11-4-1-5-12-10(11)3-2-6-16(12)19(17,18)9-7-14-15-8-9/h1,4-5,7-8H,2-3,6,13H2,(H,14,15)
InChIKeyFLTAFLCROJGGQX-UHFFFAOYSA-N
XLogP1.13
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(1H-pyrazol-4-ylsulfonyl)-3,4-dihydro-2H-quinolin-5-amine?
The IUPAC name of 1-(1H-pyrazol-4-ylsulfonyl)-3,4-dihydro-2H-quinolin-5-amine (CID 54880965) is 1-(1H-pyrazol-4-ylsulfonyl)-3,4-dihydro-2H-quinolin-5-amine.
What is the SMILES notation for 1-(1H-pyrazol-4-ylsulfonyl)-3,4-dihydro-2H-quinolin-5-amine?
The canonical SMILES for 1-(1H-pyrazol-4-ylsulfonyl)-3,4-dihydro-2H-quinolin-5-amine is Nc1cccc2c1CCCN2S(=O)(=O)c1cn[nH]c1.
What is the InChIKey of 1-(1H-pyrazol-4-ylsulfonyl)-3,4-dihydro-2H-quinolin-5-amine?
The InChIKey is FLTAFLCROJGGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c13-11-4-1-5-12-10(11)3-2-6-16(12)19(17,18)9-7-14-15-8-9/h1,4-5,7-8H,2-3,6,13H2,(H,14,15).
What are the key properties of 1-(1H-pyrazol-4-ylsulfonyl)-3,4-dihydro-2H-quinolin-5-amine?
1-(1H-pyrazol-4-ylsulfonyl)-3,4-dihydro-2H-quinolin-5-amine has a molecular weight of 278.34 g/mol, XLogP of 1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrazol-4-ylsulfonyl)-3,4-dihydro-2H-quinolin-5-amine is sourced from PubChem (CID 54880965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).