N-(1,1-dioxothiolan-3-yl)-2-phenylquinoline-4-carboxamide

C20H18N2O3S — CID 4589156

IUPACN-(1,1-dioxothiolan-3-yl)-2-phenylquinoline-4-carboxamide
SMILESO=C(NC1CCS(=O)(=O)C1)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C20H18N2O3S/c23-20(21-15-10-11-26(24,25)13-15)17-12-19(14-6-2-1-3-7-14)22-18-9-5-4-8-16(17)18/h1-9,12,15H,10-11,13H2,(H,21,23)
InChIKeyOLRPVEJRNPKAHU-UHFFFAOYSA-N
MW366.44 g/mol
LogP2.82
Rot. Bonds3

About N-(1,1-dioxothiolan-3-yl)-2-phenylquinoline-4-carboxamide

N-(1,1-dioxothiolan-3-yl)-2-phenylquinoline-4-carboxamide (PubChem CID 4589156) has the molecular formula C20H18N2O3S and a molecular weight of 366.44 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2-phenylquinoline-4-carboxamide
PubChem CID4589156
Molecular FormulaC20H18N2O3S
Molecular Weight366.44 g/mol
Exact Mass366.10
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2-phenylquinoline-4-carboxamide
SMILESO=C(NC1CCS(=O)(=O)C1)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C20H18N2O3S/c23-20(21-15-10-11-26(24,25)13-15)17-12-19(14-6-2-1-3-7-14)22-18-9-5-4-8-16(17)18/h1-9,12,15H,10-11,13H2,(H,21,23)
InChIKeyOLRPVEJRNPKAHU-UHFFFAOYSA-N
XLogP2.82
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-phenylquinoline-4-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-phenylquinoline-4-carboxamide (CID 4589156) is N-(1,1-dioxothiolan-3-yl)-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-phenylquinoline-4-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-phenylquinoline-4-carboxamide is O=C(NC1CCS(=O)(=O)C1)c1cc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-phenylquinoline-4-carboxamide?
The InChIKey is OLRPVEJRNPKAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3S/c23-20(21-15-10-11-26(24,25)13-15)17-12-19(14-6-2-1-3-7-14)22-18-9-5-4-8-16(17)18/h1-9,12,15H,10-11,13H2,(H,21,23).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-phenylquinoline-4-carboxamide?
N-(1,1-dioxothiolan-3-yl)-2-phenylquinoline-4-carboxamide has a molecular weight of 366.44 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 4589156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).