3,4-dihydro-2H-quinolin-1-yl-[2-[(1,1-dioxothiolan-3-yl)amino]-4-pyridinyl]methanone

C19H21N3O3S — CID 109173335

IUPAC3,4-dihydro-2H-quinolin-1-yl-[2-[(1,1-dioxothiolan-3-yl)amino]-4-pyridinyl]methanone
SMILESO=C(c1ccnc(NC2CCS(=O)(=O)C2)c1)N1CCCc2ccccc21
InChIInChI=1S/C19H21N3O3S/c23-19(22-10-3-5-14-4-1-2-6-17(14)22)15-7-9-20-18(12-15)21-16-8-11-26(24,25)13-16/h1-2,4,6-7,9,12,16H,3,5,8,10-11,13H2,(H,20,21)
InChIKeyKMYCSZSPOQBXTQ-UHFFFAOYSA-N
MW371.46 g/mol
LogP2.27
Rot. Bonds3

About 3,4-dihydro-2H-quinolin-1-yl-[2-[(1,1-dioxothiolan-3-yl)amino]-4-pyridinyl]methanone

3,4-dihydro-2H-quinolin-1-yl-[2-[(1,1-dioxothiolan-3-yl)amino]-4-pyridinyl]methanone (PubChem CID 109173335) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is 3,4-dihydro-2H-quinolin-1-yl-[2-[(1,1-dioxothiolan-3-yl)amino]-4-pyridinyl]methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-quinolin-1-yl-[2-[(1,1-dioxothiolan-3-yl)amino]-4-pyridinyl]methanone
PubChem CID109173335
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC Name3,4-dihydro-2H-quinolin-1-yl-[2-[(1,1-dioxothiolan-3-yl)amino]-4-pyridinyl]methanone
SMILESO=C(c1ccnc(NC2CCS(=O)(=O)C2)c1)N1CCCc2ccccc21
InChIInChI=1S/C19H21N3O3S/c23-19(22-10-3-5-14-4-1-2-6-17(14)22)15-7-9-20-18(12-15)21-16-8-11-26(24,25)13-16/h1-2,4,6-7,9,12,16H,3,5,8,10-11,13H2,(H,20,21)
InChIKeyKMYCSZSPOQBXTQ-UHFFFAOYSA-N
XLogP2.27
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3,4-dihydro-2H-quinolin-1-yl-[2-[(1,1-dioxothiolan-3-yl)amino]-4-pyridinyl]methanone with MolForge

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Related Compounds

3,4-dihydro-2H-quinolin-1-yl-[6-[(1,1-dioxothiolan-3-yl)amino]pyrimidin-4-yl]methanone
CID 109351741
5-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide
CID 109106503
3,4-dihydro-2H-quinolin-1-yl-[2-(ethylamino)-4-pyridinyl]methanone
CID 62172303
[2-(3,4-dihydro-2H-quinoline-1-carbonyl)-4-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109091635
2-(2,3-dihydroindol-1-yl)-N-(1,1-dioxothiolan-3-yl)pyrimidin-4-amine
CID 112895858
2-[[4-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-pyridinyl]amino]benzonitrile
CID 109176532
5-(2,3-dihydroindole-1-carbonyl)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide
CID 109106502
3,4-dihydro-2H-quinolin-1-yl-[2-[(4-methylphenyl)methylamino]-4-pyridinyl]methanone
CID 109170004
1-[4-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-2-carbonyl]piperazin-1-yl]ethanone
CID 109084967
[5-(cyclopropylamino)-3-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109223845
2,3-dihydroindol-1-yl-[2-[3-(trifluoromethyl)anilino]-4-pyridinyl]methanone
CID 109176438
[2-(3,4-dihydro-2H-quinoline-1-carbonyl)-4-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109081719

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-[2-[(1,1-dioxothiolan-3-yl)amino]-4-pyridinyl]methanone?
The IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-[2-[(1,1-dioxothiolan-3-yl)amino]-4-pyridinyl]methanone (CID 109173335) is 3,4-dihydro-2H-quinolin-1-yl-[2-[(1,1-dioxothiolan-3-yl)amino]-4-pyridinyl]methanone.
What is the SMILES notation for 3,4-dihydro-2H-quinolin-1-yl-[2-[(1,1-dioxothiolan-3-yl)amino]-4-pyridinyl]methanone?
The canonical SMILES for 3,4-dihydro-2H-quinolin-1-yl-[2-[(1,1-dioxothiolan-3-yl)amino]-4-pyridinyl]methanone is O=C(c1ccnc(NC2CCS(=O)(=O)C2)c1)N1CCCc2ccccc21.
What is the InChIKey of 3,4-dihydro-2H-quinolin-1-yl-[2-[(1,1-dioxothiolan-3-yl)amino]-4-pyridinyl]methanone?
The InChIKey is KMYCSZSPOQBXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c23-19(22-10-3-5-14-4-1-2-6-17(14)22)15-7-9-20-18(12-15)21-16-8-11-26(24,25)13-16/h1-2,4,6-7,9,12,16H,3,5,8,10-11,13H2,(H,20,21).
What are the key properties of 3,4-dihydro-2H-quinolin-1-yl-[2-[(1,1-dioxothiolan-3-yl)amino]-4-pyridinyl]methanone?
3,4-dihydro-2H-quinolin-1-yl-[2-[(1,1-dioxothiolan-3-yl)amino]-4-pyridinyl]methanone has a molecular weight of 371.46 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-quinolin-1-yl-[2-[(1,1-dioxothiolan-3-yl)amino]-4-pyridinyl]methanone is sourced from PubChem (CID 109173335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).