7-(difluoromethoxy)-6-fluoro-N-[1-(2-methylpropyl)-2-oxopyrrolidin-3-yl]quinoline-3-carboxamide

C19H20F3N3O3 — CID 129247718

IUPAC7-(difluoromethoxy)-6-fluoro-N-[1-(2-methylpropyl)-2-oxopyrrolidin-3-yl]quinoline-3-carboxamide
SMILESCC(C)CN1CCC(NC(=O)c2cnc3cc(OC(F)F)c(F)cc3c2)C1=O
InChIInChI=1S/C19H20F3N3O3/c1-10(2)9-25-4-3-14(18(25)27)24-17(26)12-5-11-6-13(20)16(28-19(21)22)7-15(11)23-8-12/h5-8,10,14,19H,3-4,9H2,1-2H3,(H,24,26)
InChIKeyVEMNFAMQJODTRM-UHFFFAOYSA-N
MW395.38 g/mol
LogP2.96
Rot. Bonds6

About 7-(difluoromethoxy)-6-fluoro-N-[1-(2-methylpropyl)-2-oxopyrrolidin-3-yl]quinoline-3-carboxamide

7-(difluoromethoxy)-6-fluoro-N-[1-(2-methylpropyl)-2-oxopyrrolidin-3-yl]quinoline-3-carboxamide (PubChem CID 129247718) has the molecular formula C19H20F3N3O3 and a molecular weight of 395.38 g/mol. Its IUPAC name is 7-(difluoromethoxy)-6-fluoro-N-[1-(2-methylpropyl)-2-oxopyrrolidin-3-yl]quinoline-3-carboxamide.

Molecular Properties

Compound Name7-(difluoromethoxy)-6-fluoro-N-[1-(2-methylpropyl)-2-oxopyrrolidin-3-yl]quinoline-3-carboxamide
PubChem CID129247718
Molecular FormulaC19H20F3N3O3
Molecular Weight395.38 g/mol
Exact Mass395.15
IUPAC Name7-(difluoromethoxy)-6-fluoro-N-[1-(2-methylpropyl)-2-oxopyrrolidin-3-yl]quinoline-3-carboxamide
SMILESCC(C)CN1CCC(NC(=O)c2cnc3cc(OC(F)F)c(F)cc3c2)C1=O
InChIInChI=1S/C19H20F3N3O3/c1-10(2)9-25-4-3-14(18(25)27)24-17(26)12-5-11-6-13(20)16(28-19(21)22)7-15(11)23-8-12/h5-8,10,14,19H,3-4,9H2,1-2H3,(H,24,26)
InChIKeyVEMNFAMQJODTRM-UHFFFAOYSA-N
XLogP2.96
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.38
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethoxy)-6-fluoro-N-[1-(2-methylpropyl)-2-oxopyrrolidin-3-yl]quinoline-3-carboxamide?
The IUPAC name of 7-(difluoromethoxy)-6-fluoro-N-[1-(2-methylpropyl)-2-oxopyrrolidin-3-yl]quinoline-3-carboxamide (CID 129247718) is 7-(difluoromethoxy)-6-fluoro-N-[1-(2-methylpropyl)-2-oxopyrrolidin-3-yl]quinoline-3-carboxamide.
What is the SMILES notation for 7-(difluoromethoxy)-6-fluoro-N-[1-(2-methylpropyl)-2-oxopyrrolidin-3-yl]quinoline-3-carboxamide?
The canonical SMILES for 7-(difluoromethoxy)-6-fluoro-N-[1-(2-methylpropyl)-2-oxopyrrolidin-3-yl]quinoline-3-carboxamide is CC(C)CN1CCC(NC(=O)c2cnc3cc(OC(F)F)c(F)cc3c2)C1=O.
What is the InChIKey of 7-(difluoromethoxy)-6-fluoro-N-[1-(2-methylpropyl)-2-oxopyrrolidin-3-yl]quinoline-3-carboxamide?
The InChIKey is VEMNFAMQJODTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O3/c1-10(2)9-25-4-3-14(18(25)27)24-17(26)12-5-11-6-13(20)16(28-19(21)22)7-15(11)23-8-12/h5-8,10,14,19H,3-4,9H2,1-2H3,(H,24,26).
What are the key properties of 7-(difluoromethoxy)-6-fluoro-N-[1-(2-methylpropyl)-2-oxopyrrolidin-3-yl]quinoline-3-carboxamide?
7-(difluoromethoxy)-6-fluoro-N-[1-(2-methylpropyl)-2-oxopyrrolidin-3-yl]quinoline-3-carboxamide has a molecular weight of 395.38 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethoxy)-6-fluoro-N-[1-(2-methylpropyl)-2-oxopyrrolidin-3-yl]quinoline-3-carboxamide is sourced from PubChem (CID 129247718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).