8-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-2-methoxyquinoline-3-carboxamide;2-methoxy-8-[[(2S)-5-oxopyrrolidin-2-yl]methoxy]quinoline-3-carboxamide;2-methoxy-8-[(5-oxopyrrolidin-2-yl)methoxy]quinoline-3-carboxamide;3-methoxy-5-[(5-oxopyrrolidin-2-yl)methoxy]quinoline-2-carboxamide

C66H71FN12O16 — CID 161461355

IUPAC8-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-2-methoxyquinoline-3-carboxamide;2-methoxy-8-[[(2S)-5-oxopyrrolidin-2-yl]methoxy]quinoline-3-carboxamide;2-methoxy-8-[(5-oxopyrrolidin-2-yl)methoxy]quinoline-3-carboxamide;3-methoxy-5-[(5-oxopyrrolidin-2-yl)methoxy]quinoline-2-carboxamide
SMILESCC[C@@H]1[C@H](F)C(=O)N[C@@H]1COc1cccc2cc(C(N)=O)c(OC)nc12.COc1cc2c(OCC3CCC(=O)N3)cccc2nc1C(N)=O.COc1nc2c(OCC3CCC(=O)N3)cccc2cc1C(N)=O.COc1nc2c(OC[C@@H]3CCC(=O)N3)cccc2cc1C(N)=O
InChIInChI=1S/C18H20FN3O4.3C16H17N3O4/c1-3-10-12(21-17(24)14(10)19)8-26-13-6-4-5-9-7-11(16(20)23)18(25-2)22-15(9)13;1-22-13-7-10-11(19-15(13)16(17)21)3-2-4-12(10)23-8-9-5-6-14(20)18-9;2*1-22-16-11(15(17)21)7-9-3-2-4-12(14(9)19-16)23-8-10-5-6-13(20)18-10/h4-7,10,12,14H,3,8H2,1-2H3,(H2,20,23)(H,21,24);2-4,7,9H,5-6,8H2,1H3,(H2,17,21)(H,18,20);2*2-4,7,10H,5-6,8H2,1H3,(H2,17,21)(H,18,20)/t10-,12+,14-;;10-;/m0.0./s1
InChIKeyWBVWZOZHTINOPQ-UDAZZWCNSA-N
MW1307.36 g/mol
LogP4.58
Rot. Bonds21

About 8-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-2-methoxyquinoline-3-carboxamide;2-methoxy-8-[[(2S)-5-oxopyrrolidin-2-yl]methoxy]quinoline-3-carboxamide;2-methoxy-8-[(5-oxopyrrolidin-2-yl)methoxy]quinoline-3-carboxamide;3-methoxy-5-[(5-oxopyrrolidin-2-yl)methoxy]quinoline-2-carboxamide

8-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-2-methoxyquinoline-3-carboxamide;2-methoxy-8-[[(2S)-5-oxopyrrolidin-2-yl]methoxy]quinoline-3-carboxamide;2-methoxy-8-[(5-oxopyrrolidin-2-yl)methoxy]quinoline-3-carboxamide;3-methoxy-5-[(5-oxopyrrolidin-2-yl)methoxy]quinoline-2-carboxamide (PubChem CID 161461355) has the molecular formula C66H71FN12O16 and a molecular weight of 1307.36 g/mol. Its IUPAC name is 8-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-2-methoxyquinoline-3-carboxamide;2-methoxy-8-[[(2S)-5-oxopyrrolidin-2-yl]methoxy]quinoline-3-carboxamide;2-methoxy-8-[(5-oxopyrrolidin-2-yl)methoxy]quinoline-3-carboxamide;3-methoxy-5-[(5-oxopyrrolidin-2-yl)methoxy]quinoline-2-carboxamide.

Molecular Properties

Compound Name8-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-2-methoxyquinoline-3-carboxamide;2-methoxy-8-[[(2S)-5-oxopyrrolidin-2-yl]methoxy]quinoline-3-carboxamide;2-methoxy-8-[(5-oxopyrrolidin-2-yl)methoxy]quinoline-3-carboxamide;3-methoxy-5-[(5-oxopyrrolidin-2-yl)methoxy]quinoline-2-carboxamide
PubChem CID161461355
Molecular FormulaC66H71FN12O16
Molecular Weight1307.36 g/mol
Exact Mass1306.51
IUPAC Name8-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-2-methoxyquinoline-3-carboxamide;2-methoxy-8-[[(2S)-5-oxopyrrolidin-2-yl]methoxy]quinoline-3-carboxamide;2-methoxy-8-[(5-oxopyrrolidin-2-yl)methoxy]quinoline-3-carboxamide;3-methoxy-5-[(5-oxopyrrolidin-2-yl)methoxy]quinoline-2-carboxamide
SMILESCC[C@@H]1[C@H](F)C(=O)N[C@@H]1COc1cccc2cc(C(N)=O)c(OC)nc12.COc1cc2c(OCC3CCC(=O)N3)cccc2nc1C(N)=O.COc1nc2c(OCC3CCC(=O)N3)cccc2cc1C(N)=O.COc1nc2c(OC[C@@H]3CCC(=O)N3)cccc2cc1C(N)=O
InChIInChI=1S/C18H20FN3O4.3C16H17N3O4/c1-3-10-12(21-17(24)14(10)19)8-26-13-6-4-5-9-7-11(16(20)23)18(25-2)22-15(9)13;1-22-13-7-10-11(19-15(13)16(17)21)3-2-4-12(10)23-8-9-5-6-14(20)18-9;2*1-22-16-11(15(17)21)7-9-3-2-4-12(14(9)19-16)23-8-10-5-6-13(20)18-10/h4-7,10,12,14H,3,8H2,1-2H3,(H2,20,23)(H,21,24);2-4,7,9H,5-6,8H2,1H3,(H2,17,21)(H,18,20);2*2-4,7,10H,5-6,8H2,1H3,(H2,17,21)(H,18,20)/t10-,12+,14-;;10-;/m0.0./s1
InChIKeyWBVWZOZHTINOPQ-UDAZZWCNSA-N
XLogP4.58
TPSA414.16 Ų
H-Bond Donors8
H-Bond Acceptors20
Rotatable Bonds21
Heavy Atoms95
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001307.36
LogP ≤ 54.58
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1020

Analyze 8-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-2-methoxyquinoline-3-carboxamide;2-methoxy-8-[[(2S)-5-oxopyrrolidin-2-yl]methoxy]quinoline-3-carboxamide;2-methoxy-8-[(5-oxopyrrolidin-2-yl)methoxy]quinoline-3-carboxamide;3-methoxy-5-[(5-oxopyrrolidin-2-yl)methoxy]quinoline-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-2-methoxyquinoline-3-carboxamide;2-methoxy-8-[[(2S)-5-oxopyrrolidin-2-yl]methoxy]quinoline-3-carboxamide;2-methoxy-8-[(5-oxopyrrolidin-2-yl)methoxy]quinoline-3-carboxamide;3-methoxy-5-[(5-oxopyrrolidin-2-yl)methoxy]quinoline-2-carboxamide?
The IUPAC name of 8-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-2-methoxyquinoline-3-carboxamide;2-methoxy-8-[[(2S)-5-oxopyrrolidin-2-yl]methoxy]quinoline-3-carboxamide;2-methoxy-8-[(5-oxopyrrolidin-2-yl)methoxy]quinoline-3-carboxamide;3-methoxy-5-[(5-oxopyrrolidin-2-yl)methoxy]quinoline-2-carboxamide (CID 161461355) is 8-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-2-methoxyquinoline-3-carboxamide;2-methoxy-8-[[(2S)-5-oxopyrrolidin-2-yl]methoxy]quinoline-3-carboxamide;2-methoxy-8-[(5-oxopyrrolidin-2-yl)methoxy]quinoline-3-carboxamide;3-methoxy-5-[(5-oxopyrrolidin-2-yl)methoxy]quinoline-2-carboxamide.
What is the SMILES notation for 8-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-2-methoxyquinoline-3-carboxamide;2-methoxy-8-[[(2S)-5-oxopyrrolidin-2-yl]methoxy]quinoline-3-carboxamide;2-methoxy-8-[(5-oxopyrrolidin-2-yl)methoxy]quinoline-3-carboxamide;3-methoxy-5-[(5-oxopyrrolidin-2-yl)methoxy]quinoline-2-carboxamide?
The canonical SMILES for 8-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-2-methoxyquinoline-3-carboxamide;2-methoxy-8-[[(2S)-5-oxopyrrolidin-2-yl]methoxy]quinoline-3-carboxamide;2-methoxy-8-[(5-oxopyrrolidin-2-yl)methoxy]quinoline-3-carboxamide;3-methoxy-5-[(5-oxopyrrolidin-2-yl)methoxy]quinoline-2-carboxamide is CC[C@@H]1[C@H](F)C(=O)N[C@@H]1COc1cccc2cc(C(N)=O)c(OC)nc12.COc1cc2c(OCC3CCC(=O)N3)cccc2nc1C(N)=O.COc1nc2c(OCC3CCC(=O)N3)cccc2cc1C(N)=O.COc1nc2c(OC[C@@H]3CCC(=O)N3)cccc2cc1C(N)=O.
What is the InChIKey of 8-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-2-methoxyquinoline-3-carboxamide;2-methoxy-8-[[(2S)-5-oxopyrrolidin-2-yl]methoxy]quinoline-3-carboxamide;2-methoxy-8-[(5-oxopyrrolidin-2-yl)methoxy]quinoline-3-carboxamide;3-methoxy-5-[(5-oxopyrrolidin-2-yl)methoxy]quinoline-2-carboxamide?
The InChIKey is WBVWZOZHTINOPQ-UDAZZWCNSA-N. The full InChI is InChI=1S/C18H20FN3O4.3C16H17N3O4/c1-3-10-12(21-17(24)14(10)19)8-26-13-6-4-5-9-7-11(16(20)23)18(25-2)22-15(9)13;1-22-13-7-10-11(19-15(13)16(17)21)3-2-4-12(10)23-8-9-5-6-14(20)18-9;2*1-22-16-11(15(17)21)7-9-3-2-4-12(14(9)19-16)23-8-10-5-6-13(20)18-10/h4-7,10,12,14H,3,8H2,1-2H3,(H2,20,23)(H,21,24);2-4,7,9H,5-6,8H2,1H3,(H2,17,21)(H,18,20);2*2-4,7,10H,5-6,8H2,1H3,(H2,17,21)(H,18,20)/t10-,12+,14-;;10-;/m0.0./s1.
What are the key properties of 8-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-2-methoxyquinoline-3-carboxamide;2-methoxy-8-[[(2S)-5-oxopyrrolidin-2-yl]methoxy]quinoline-3-carboxamide;2-methoxy-8-[(5-oxopyrrolidin-2-yl)methoxy]quinoline-3-carboxamide;3-methoxy-5-[(5-oxopyrrolidin-2-yl)methoxy]quinoline-2-carboxamide?
8-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-2-methoxyquinoline-3-carboxamide;2-methoxy-8-[[(2S)-5-oxopyrrolidin-2-yl]methoxy]quinoline-3-carboxamide;2-methoxy-8-[(5-oxopyrrolidin-2-yl)methoxy]quinoline-3-carboxamide;3-methoxy-5-[(5-oxopyrrolidin-2-yl)methoxy]quinoline-2-carboxamide has a molecular weight of 1307.36 g/mol, XLogP of 4.58, 21 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-2-methoxyquinoline-3-carboxamide;2-methoxy-8-[[(2S)-5-oxopyrrolidin-2-yl]methoxy]quinoline-3-carboxamide;2-methoxy-8-[(5-oxopyrrolidin-2-yl)methoxy]quinoline-3-carboxamide;3-methoxy-5-[(5-oxopyrrolidin-2-yl)methoxy]quinoline-2-carboxamide is sourced from PubChem (CID 161461355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).