2-cyclopropyl-N-(1,1-dioxothian-3-yl)-6-fluoroquinoline-4-carboxamide

C18H19FN2O3S — CID 127367740

IUPAC2-cyclopropyl-N-(1,1-dioxothian-3-yl)-6-fluoroquinoline-4-carboxamide
SMILESO=C(NC1CCCS(=O)(=O)C1)c1cc(C2CC2)nc2ccc(F)cc12
InChIInChI=1S/C18H19FN2O3S/c19-12-5-6-16-14(8-12)15(9-17(21-16)11-3-4-11)18(22)20-13-2-1-7-25(23,24)10-13/h5-6,8-9,11,13H,1-4,7,10H2,(H,20,22)
InChIKeyJVZSVLKHRIEAOY-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.56
Rot. Bonds3

About 2-cyclopropyl-N-(1,1-dioxothian-3-yl)-6-fluoroquinoline-4-carboxamide

2-cyclopropyl-N-(1,1-dioxothian-3-yl)-6-fluoroquinoline-4-carboxamide (PubChem CID 127367740) has the molecular formula C18H19FN2O3S and a molecular weight of 362.43 g/mol. Its IUPAC name is 2-cyclopropyl-N-(1,1-dioxothian-3-yl)-6-fluoroquinoline-4-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-(1,1-dioxothian-3-yl)-6-fluoroquinoline-4-carboxamide
PubChem CID127367740
Molecular FormulaC18H19FN2O3S
Molecular Weight362.43 g/mol
Exact Mass362.11
IUPAC Name2-cyclopropyl-N-(1,1-dioxothian-3-yl)-6-fluoroquinoline-4-carboxamide
SMILESO=C(NC1CCCS(=O)(=O)C1)c1cc(C2CC2)nc2ccc(F)cc12
InChIInChI=1S/C18H19FN2O3S/c19-12-5-6-16-14(8-12)15(9-17(21-16)11-3-4-11)18(22)20-13-2-1-7-25(23,24)10-13/h5-6,8-9,11,13H,1-4,7,10H2,(H,20,22)
InChIKeyJVZSVLKHRIEAOY-UHFFFAOYSA-N
XLogP2.56
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S)-1,1-dioxothian-3-yl]-5-fluoro-2-methylbenzamide
CID 96547544
2-cyclopropyl-6-fluoro-N-(2-methylpiperidin-4-yl)quinoline-4-carboxamide
CID 120602484
2-[(2-cyclopropyl-6-fluoroquinoline-4-carbonyl)amino]acetic acid
CID 119350246
2-cyclopropyl-6-fluoro-N-methylsulfonylquinoline-4-carboxamide
CID 146154707
2-cyclopropyl-6-fluoroquinoline-4-carboxamide
CID 71870785
N-(3-aminopropyl)-2-cyclopropyl-6-fluoroquinoline-4-carboxamide
CID 119406380
2-[(2-cyclopropyl-6-fluoroquinoline-4-carbonyl)amino]-2-methylpropanoic acid
CID 120515978
2-cyclopropyl-6-fluoro-N-[2-[(R)-methylsulfinyl]ethyl]quinoline-4-carboxamide
CID 95782044
7-[(2-cyclopropyl-6-fluoroquinoline-4-carbonyl)amino]heptanoic acid
CID 119350783
N-cyclohexyl-2-(3,4-dimethylphenyl)-6-fluoroquinoline-4-carboxamide
CID 42750152
4-amino-N-(1,1-dioxothian-3-yl)-2-fluorobenzamide
CID 63924658
N-(1,1-dioxothian-3-yl)-2-fluoro-5-sulfanylbenzamide
CID 107030226

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-(1,1-dioxothian-3-yl)-6-fluoroquinoline-4-carboxamide?
The IUPAC name of 2-cyclopropyl-N-(1,1-dioxothian-3-yl)-6-fluoroquinoline-4-carboxamide (CID 127367740) is 2-cyclopropyl-N-(1,1-dioxothian-3-yl)-6-fluoroquinoline-4-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-(1,1-dioxothian-3-yl)-6-fluoroquinoline-4-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-(1,1-dioxothian-3-yl)-6-fluoroquinoline-4-carboxamide is O=C(NC1CCCS(=O)(=O)C1)c1cc(C2CC2)nc2ccc(F)cc12.
What is the InChIKey of 2-cyclopropyl-N-(1,1-dioxothian-3-yl)-6-fluoroquinoline-4-carboxamide?
The InChIKey is JVZSVLKHRIEAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3S/c19-12-5-6-16-14(8-12)15(9-17(21-16)11-3-4-11)18(22)20-13-2-1-7-25(23,24)10-13/h5-6,8-9,11,13H,1-4,7,10H2,(H,20,22).
What are the key properties of 2-cyclopropyl-N-(1,1-dioxothian-3-yl)-6-fluoroquinoline-4-carboxamide?
2-cyclopropyl-N-(1,1-dioxothian-3-yl)-6-fluoroquinoline-4-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-(1,1-dioxothian-3-yl)-6-fluoroquinoline-4-carboxamide is sourced from PubChem (CID 127367740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).