N-cyclopropyl-7-fluoro-N-methyl-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonamide

C15H14FN3O3S — CID 68937777

IUPACN-cyclopropyl-7-fluoro-N-methyl-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonamide
SMILESCN(C1CC1)S(=O)(=O)c1cc2c(cc1F)[nH]c(=O)c1[nH]ccc12
InChIInChI=1S/C15H14FN3O3S/c1-19(8-2-3-8)23(21,22)13-6-10-9-4-5-17-14(9)15(20)18-12(10)7-11(13)16/h4-8,17H,2-3H2,1H3,(H,18,20)
InChIKeyKZHKDKDKDDFEML-UHFFFAOYSA-N
MW335.36 g/mol
LogP1.93
Rot. Bonds3

About N-cyclopropyl-7-fluoro-N-methyl-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonamide

N-cyclopropyl-7-fluoro-N-methyl-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonamide (PubChem CID 68937777) has the molecular formula C15H14FN3O3S and a molecular weight of 335.36 g/mol. Its IUPAC name is N-cyclopropyl-7-fluoro-N-methyl-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-7-fluoro-N-methyl-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonamide
PubChem CID68937777
Molecular FormulaC15H14FN3O3S
Molecular Weight335.36 g/mol
Exact Mass335.07
IUPAC NameN-cyclopropyl-7-fluoro-N-methyl-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonamide
SMILESCN(C1CC1)S(=O)(=O)c1cc2c(cc1F)[nH]c(=O)c1[nH]ccc12
InChIInChI=1S/C15H14FN3O3S/c1-19(8-2-3-8)23(21,22)13-6-10-9-4-5-17-14(9)15(20)18-12(10)7-11(13)16/h4-8,17H,2-3H2,1H3,(H,18,20)
InChIKeyKZHKDKDKDDFEML-UHFFFAOYSA-N
XLogP1.93
TPSA86.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-7-fluoro-N-methyl-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonamide?
The IUPAC name of N-cyclopropyl-7-fluoro-N-methyl-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonamide (CID 68937777) is N-cyclopropyl-7-fluoro-N-methyl-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonamide.
What is the SMILES notation for N-cyclopropyl-7-fluoro-N-methyl-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonamide?
The canonical SMILES for N-cyclopropyl-7-fluoro-N-methyl-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonamide is CN(C1CC1)S(=O)(=O)c1cc2c(cc1F)[nH]c(=O)c1[nH]ccc12.
What is the InChIKey of N-cyclopropyl-7-fluoro-N-methyl-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonamide?
The InChIKey is KZHKDKDKDDFEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O3S/c1-19(8-2-3-8)23(21,22)13-6-10-9-4-5-17-14(9)15(20)18-12(10)7-11(13)16/h4-8,17H,2-3H2,1H3,(H,18,20).
What are the key properties of N-cyclopropyl-7-fluoro-N-methyl-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonamide?
N-cyclopropyl-7-fluoro-N-methyl-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonamide has a molecular weight of 335.36 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-7-fluoro-N-methyl-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonamide is sourced from PubChem (CID 68937777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).