N-(1,1-dioxothiolan-3-yl)benzo[f]quinoline-5-carboxamide

C18H16N2O3S — CID 71895819

IUPACN-(1,1-dioxothiolan-3-yl)benzo[f]quinoline-5-carboxamide
SMILESO=C(NC1CCS(=O)(=O)C1)c1cc2ccccc2c2cccnc12
InChIInChI=1S/C18H16N2O3S/c21-18(20-13-7-9-24(22,23)11-13)16-10-12-4-1-2-5-14(12)15-6-3-8-19-17(15)16/h1-6,8,10,13H,7,9,11H2,(H,20,21)
InChIKeyURAHZALNUDCIGH-UHFFFAOYSA-N
MW340.40 g/mol
LogP2.30
Rot. Bonds2

About N-(1,1-dioxothiolan-3-yl)benzo[f]quinoline-5-carboxamide

N-(1,1-dioxothiolan-3-yl)benzo[f]quinoline-5-carboxamide (PubChem CID 71895819) has the molecular formula C18H16N2O3S and a molecular weight of 340.40 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)benzo[f]quinoline-5-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)benzo[f]quinoline-5-carboxamide
PubChem CID71895819
Molecular FormulaC18H16N2O3S
Molecular Weight340.40 g/mol
Exact Mass340.09
IUPAC NameN-(1,1-dioxothiolan-3-yl)benzo[f]quinoline-5-carboxamide
SMILESO=C(NC1CCS(=O)(=O)C1)c1cc2ccccc2c2cccnc12
InChIInChI=1S/C18H16N2O3S/c21-18(20-13-7-9-24(22,23)11-13)16-10-12-4-1-2-5-14(12)15-6-3-8-19-17(15)16/h1-6,8,10,13H,7,9,11H2,(H,20,21)
InChIKeyURAHZALNUDCIGH-UHFFFAOYSA-N
XLogP2.30
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-(4-aminocyclohexyl)benzo[f]quinoline-5-carboxamide;dihydrochloride
CID 119477643
N-(2,6-dimethyloxan-4-yl)benzo[f]quinoline-5-carboxamide
CID 119033670
2-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]pyridine-3-carboxamide
CID 6595863
5-chloro-N-[(3S)-1,1-dioxothian-3-yl]quinoline-8-carboxamide
CID 96547534
N-[(3R)-2-oxopiperidin-3-yl]benzo[f]quinoline-5-carboxamide
CID 95272465
N-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]benzo[f]quinoline-5-carboxamide
CID 94886643
1-(1,1-dioxothiolan-3-yl)-3-quinolin-8-ylurea
CID 47032833
N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]benzo[f]quinoline-5-carboxamide
CID 119032835
N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 40634625
N-(1,1-dioxothiolan-3-yl)cinnoline-3-carboxamide
CID 110705072
2-amino-N-(1,1-dioxothiolan-3-yl)quinazoline-8-carboxamide
CID 71159487
2-bromo-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide
CID 7259720

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)benzo[f]quinoline-5-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)benzo[f]quinoline-5-carboxamide (CID 71895819) is N-(1,1-dioxothiolan-3-yl)benzo[f]quinoline-5-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)benzo[f]quinoline-5-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)benzo[f]quinoline-5-carboxamide is O=C(NC1CCS(=O)(=O)C1)c1cc2ccccc2c2cccnc12.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)benzo[f]quinoline-5-carboxamide?
The InChIKey is URAHZALNUDCIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3S/c21-18(20-13-7-9-24(22,23)11-13)16-10-12-4-1-2-5-14(12)15-6-3-8-19-17(15)16/h1-6,8,10,13H,7,9,11H2,(H,20,21).
What are the key properties of N-(1,1-dioxothiolan-3-yl)benzo[f]quinoline-5-carboxamide?
N-(1,1-dioxothiolan-3-yl)benzo[f]quinoline-5-carboxamide has a molecular weight of 340.40 g/mol, XLogP of 2.30, 2 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)benzo[f]quinoline-5-carboxamide is sourced from PubChem (CID 71895819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).