3,4-dihydro-2H-quinolin-1-yl-[6-[(1,1-dioxothiolan-3-yl)amino]pyrimidin-4-yl]methanone

C18H20N4O3S — CID 109351741

IUPAC3,4-dihydro-2H-quinolin-1-yl-[6-[(1,1-dioxothiolan-3-yl)amino]pyrimidin-4-yl]methanone
SMILESO=C(c1cc(NC2CCS(=O)(=O)C2)ncn1)N1CCCc2ccccc21
InChIInChI=1S/C18H20N4O3S/c23-18(22-8-3-5-13-4-1-2-6-16(13)22)15-10-17(20-12-19-15)21-14-7-9-26(24,25)11-14/h1-2,4,6,10,12,14H,3,5,7-9,11H2,(H,19,20,21)
InChIKeyKMPBZZDRMYHSBS-UHFFFAOYSA-N
MW372.45 g/mol
LogP1.67
Rot. Bonds3

About 3,4-dihydro-2H-quinolin-1-yl-[6-[(1,1-dioxothiolan-3-yl)amino]pyrimidin-4-yl]methanone

3,4-dihydro-2H-quinolin-1-yl-[6-[(1,1-dioxothiolan-3-yl)amino]pyrimidin-4-yl]methanone (PubChem CID 109351741) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is 3,4-dihydro-2H-quinolin-1-yl-[6-[(1,1-dioxothiolan-3-yl)amino]pyrimidin-4-yl]methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-quinolin-1-yl-[6-[(1,1-dioxothiolan-3-yl)amino]pyrimidin-4-yl]methanone
PubChem CID109351741
Molecular FormulaC18H20N4O3S
Molecular Weight372.45 g/mol
Exact Mass372.13
IUPAC Name3,4-dihydro-2H-quinolin-1-yl-[6-[(1,1-dioxothiolan-3-yl)amino]pyrimidin-4-yl]methanone
SMILESO=C(c1cc(NC2CCS(=O)(=O)C2)ncn1)N1CCCc2ccccc21
InChIInChI=1S/C18H20N4O3S/c23-18(22-8-3-5-13-4-1-2-6-16(13)22)15-10-17(20-12-19-15)21-14-7-9-26(24,25)11-14/h1-2,4,6,10,12,14H,3,5,7-9,11H2,(H,19,20,21)
InChIKeyKMPBZZDRMYHSBS-UHFFFAOYSA-N
XLogP1.67
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3,4-dihydro-2H-quinolin-1-yl-[6-[(1,1-dioxothiolan-3-yl)amino]pyrimidin-4-yl]methanone with MolForge

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Related Compounds

3,4-dihydro-2H-quinolin-1-yl-[2-[(1,1-dioxothiolan-3-yl)amino]-4-pyridinyl]methanone
CID 109173335
[6-[(1,1-dioxothiolan-3-yl)amino]pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341660
[6-(cyclopropylamino)-2-methylpyrimidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109360860
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-[6-(2-methoxyethylamino)pyrimidin-4-yl]methanone
CID 109342821
[6-(cyclopropylamino)-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 84570920
3,4-dihydro-2H-quinolin-1-yl-[6-[(4-methylphenyl)methylamino]pyrimidin-4-yl]methanone
CID 109347315
[5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)pyrazol-3-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 21008615
3,4-dihydro-2H-quinolin-1-yl-[6-(3,4-dimethoxyanilino)pyrimidin-4-yl]methanone
CID 109356729
[5-(cyclopropylamino)-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109180125
3,4-dihydro-2H-quinolin-1-yl-[6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]methanone
CID 109349894
6-(2,3-dihydroindol-1-yl)-N-(1,1-dioxothiolan-3-yl)pyrimidine-4-carboxamide
CID 109351828

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-[6-[(1,1-dioxothiolan-3-yl)amino]pyrimidin-4-yl]methanone?
The IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-[6-[(1,1-dioxothiolan-3-yl)amino]pyrimidin-4-yl]methanone (CID 109351741) is 3,4-dihydro-2H-quinolin-1-yl-[6-[(1,1-dioxothiolan-3-yl)amino]pyrimidin-4-yl]methanone.
What is the SMILES notation for 3,4-dihydro-2H-quinolin-1-yl-[6-[(1,1-dioxothiolan-3-yl)amino]pyrimidin-4-yl]methanone?
The canonical SMILES for 3,4-dihydro-2H-quinolin-1-yl-[6-[(1,1-dioxothiolan-3-yl)amino]pyrimidin-4-yl]methanone is O=C(c1cc(NC2CCS(=O)(=O)C2)ncn1)N1CCCc2ccccc21.
What is the InChIKey of 3,4-dihydro-2H-quinolin-1-yl-[6-[(1,1-dioxothiolan-3-yl)amino]pyrimidin-4-yl]methanone?
The InChIKey is KMPBZZDRMYHSBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3S/c23-18(22-8-3-5-13-4-1-2-6-16(13)22)15-10-17(20-12-19-15)21-14-7-9-26(24,25)11-14/h1-2,4,6,10,12,14H,3,5,7-9,11H2,(H,19,20,21).
What are the key properties of 3,4-dihydro-2H-quinolin-1-yl-[6-[(1,1-dioxothiolan-3-yl)amino]pyrimidin-4-yl]methanone?
3,4-dihydro-2H-quinolin-1-yl-[6-[(1,1-dioxothiolan-3-yl)amino]pyrimidin-4-yl]methanone has a molecular weight of 372.45 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-quinolin-1-yl-[6-[(1,1-dioxothiolan-3-yl)amino]pyrimidin-4-yl]methanone is sourced from PubChem (CID 109351741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).