2-cyclopropyl-6-fluoro-N-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)quinoline-4-carboxamide

C19H20FN3O2 — CID 71994606

IUPAC2-cyclopropyl-6-fluoro-N-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)quinoline-4-carboxamide
SMILESCN1CCC(N(C)C(=O)c2cc(C3CC3)nc3ccc(F)cc23)C1=O
InChIInChI=1S/C19H20FN3O2/c1-22-8-7-17(19(22)25)23(2)18(24)14-10-16(11-3-4-11)21-15-6-5-12(20)9-13(14)15/h5-6,9-11,17H,3-4,7-8H2,1-2H3
InChIKeyOWKOAFJNKGBODY-UHFFFAOYSA-N
MW341.39 g/mol
LogP2.55
Rot. Bonds3

About 2-cyclopropyl-6-fluoro-N-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)quinoline-4-carboxamide

2-cyclopropyl-6-fluoro-N-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)quinoline-4-carboxamide (PubChem CID 71994606) has the molecular formula C19H20FN3O2 and a molecular weight of 341.39 g/mol. Its IUPAC name is 2-cyclopropyl-6-fluoro-N-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-6-fluoro-N-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)quinoline-4-carboxamide
PubChem CID71994606
Molecular FormulaC19H20FN3O2
Molecular Weight341.39 g/mol
Exact Mass341.15
IUPAC Name2-cyclopropyl-6-fluoro-N-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)quinoline-4-carboxamide
SMILESCN1CCC(N(C)C(=O)c2cc(C3CC3)nc3ccc(F)cc23)C1=O
InChIInChI=1S/C19H20FN3O2/c1-22-8-7-17(19(22)25)23(2)18(24)14-10-16(11-3-4-11)21-15-6-5-12(20)9-13(14)15/h5-6,9-11,17H,3-4,7-8H2,1-2H3
InChIKeyOWKOAFJNKGBODY-UHFFFAOYSA-N
XLogP2.55
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-fluoro-N-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)quinoline-4-carboxamide?
The IUPAC name of 2-cyclopropyl-6-fluoro-N-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)quinoline-4-carboxamide (CID 71994606) is 2-cyclopropyl-6-fluoro-N-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)quinoline-4-carboxamide.
What is the SMILES notation for 2-cyclopropyl-6-fluoro-N-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)quinoline-4-carboxamide?
The canonical SMILES for 2-cyclopropyl-6-fluoro-N-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)quinoline-4-carboxamide is CN1CCC(N(C)C(=O)c2cc(C3CC3)nc3ccc(F)cc23)C1=O.
What is the InChIKey of 2-cyclopropyl-6-fluoro-N-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)quinoline-4-carboxamide?
The InChIKey is OWKOAFJNKGBODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2/c1-22-8-7-17(19(22)25)23(2)18(24)14-10-16(11-3-4-11)21-15-6-5-12(20)9-13(14)15/h5-6,9-11,17H,3-4,7-8H2,1-2H3.
What are the key properties of 2-cyclopropyl-6-fluoro-N-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)quinoline-4-carboxamide?
2-cyclopropyl-6-fluoro-N-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)quinoline-4-carboxamide has a molecular weight of 341.39 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-fluoro-N-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)quinoline-4-carboxamide is sourced from PubChem (CID 71994606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).