6-cyclopropyloxy-4-[[(2S,3S,4S)-4-fluoro-3-methyl-5-oxopyrrolidin-2-yl]methoxy]quinoline-7-carboxamide

C19H20FN3O4 — CID 134487367

IUPAC6-cyclopropyloxy-4-[[(2S,3S,4S)-4-fluoro-3-methyl-5-oxopyrrolidin-2-yl]methoxy]quinoline-7-carboxamide
SMILESC[C@@H]1[C@H](F)C(=O)N[C@@H]1COc1ccnc2cc(C(N)=O)c(OC3CC3)cc12
InChIInChI=1S/C19H20FN3O4/c1-9-14(23-19(25)17(9)20)8-26-15-4-5-22-13-6-12(18(21)24)16(7-11(13)15)27-10-2-3-10/h4-7,9-10,14,17H,2-3,8H2,1H3,(H2,21,24)(H,23,25)/t9-,14+,17-/m0/s1
InChIKeyQGVKANYGHVPKEC-YCELRVBUSA-N
MW373.38 g/mol
LogP1.73
Rot. Bonds6

About 6-cyclopropyloxy-4-[[(2S,3S,4S)-4-fluoro-3-methyl-5-oxopyrrolidin-2-yl]methoxy]quinoline-7-carboxamide

6-cyclopropyloxy-4-[[(2S,3S,4S)-4-fluoro-3-methyl-5-oxopyrrolidin-2-yl]methoxy]quinoline-7-carboxamide (PubChem CID 134487367) has the molecular formula C19H20FN3O4 and a molecular weight of 373.38 g/mol. Its IUPAC name is 6-cyclopropyloxy-4-[[(2S,3S,4S)-4-fluoro-3-methyl-5-oxopyrrolidin-2-yl]methoxy]quinoline-7-carboxamide.

Molecular Properties

Compound Name6-cyclopropyloxy-4-[[(2S,3S,4S)-4-fluoro-3-methyl-5-oxopyrrolidin-2-yl]methoxy]quinoline-7-carboxamide
PubChem CID134487367
Molecular FormulaC19H20FN3O4
Molecular Weight373.38 g/mol
Exact Mass373.14
IUPAC Name6-cyclopropyloxy-4-[[(2S,3S,4S)-4-fluoro-3-methyl-5-oxopyrrolidin-2-yl]methoxy]quinoline-7-carboxamide
SMILESC[C@@H]1[C@H](F)C(=O)N[C@@H]1COc1ccnc2cc(C(N)=O)c(OC3CC3)cc12
InChIInChI=1S/C19H20FN3O4/c1-9-14(23-19(25)17(9)20)8-26-15-4-5-22-13-6-12(18(21)24)16(7-11(13)15)27-10-2-3-10/h4-7,9-10,14,17H,2-3,8H2,1H3,(H2,21,24)(H,23,25)/t9-,14+,17-/m0/s1
InChIKeyQGVKANYGHVPKEC-YCELRVBUSA-N
XLogP1.73
TPSA103.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-cyclopropyloxy-4-[[(2S,3S,4S)-4-fluoro-3-methyl-5-oxopyrrolidin-2-yl]methoxy]quinoline-7-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

4-[(6-fluoro-4-oxo-3-azabicyclo[3.1.0]hexan-2-yl)methoxy]-6-methoxyquinoline-7-carboxamide
CID 144937053
1-[[(2S,3S)-4-fluoro-3-methyl-5-oxopyrrolidin-2-yl]methoxy]-7-methoxyisoquinoline-6-carboxamide
CID 155582589
4-[[(2R)-5-oxopyrrolidin-2-yl]methoxy]-6-propan-2-yloxyquinoline-7-carboxamide
CID 138726883
4-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]methoxy]-6-propan-2-yloxyquinoline-7-carboxamide
CID 118414683
1-[[(2S,3S,4S)-4-fluoro-3-methyl-5-oxopyrrolidin-2-yl]methoxy]-7-methoxyisoquinoline-6-carboxylic acid
CID 126622132
4-ethyl-3-fluoro-5-[(6-methoxy-7-methylquinolin-4-yl)oxymethyl]pyrrolidin-2-one
CID 166972582
1-[[(2S,3R,4R)-3,4-dimethyl-5-oxopyrrolidin-2-yl]methoxy]-7-methoxyisoquinoline-6-carboxamide
CID 118414733
1-[[(2S,3R,4R)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-7-methoxyisoquinoline-6-carboxamide
CID 118414556
1-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-7-methoxyisoquinoline-6-carboxamide
CID 118414016
7-methoxy-1-[[(2S,3S,4S)-4-methoxy-3-methyl-5-oxopyrrolidin-2-yl]methoxy]isoquinoline-6-carboxamide
CID 118414586
4-[[(4R)-1,3-dioxolan-4-yl]methoxy]-6-propan-2-yloxyquinoline-7-carboxamide
CID 125495856
7-methoxy-1-[[(1S,2S,5R)-6-methyl-4-oxo-3-azabicyclo[3.1.0]hexan-2-yl]methoxy]isoquinoline-6-carboxamide
CID 118414309

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyloxy-4-[[(2S,3S,4S)-4-fluoro-3-methyl-5-oxopyrrolidin-2-yl]methoxy]quinoline-7-carboxamide?
The IUPAC name of 6-cyclopropyloxy-4-[[(2S,3S,4S)-4-fluoro-3-methyl-5-oxopyrrolidin-2-yl]methoxy]quinoline-7-carboxamide (CID 134487367) is 6-cyclopropyloxy-4-[[(2S,3S,4S)-4-fluoro-3-methyl-5-oxopyrrolidin-2-yl]methoxy]quinoline-7-carboxamide.
What is the SMILES notation for 6-cyclopropyloxy-4-[[(2S,3S,4S)-4-fluoro-3-methyl-5-oxopyrrolidin-2-yl]methoxy]quinoline-7-carboxamide?
The canonical SMILES for 6-cyclopropyloxy-4-[[(2S,3S,4S)-4-fluoro-3-methyl-5-oxopyrrolidin-2-yl]methoxy]quinoline-7-carboxamide is C[C@@H]1[C@H](F)C(=O)N[C@@H]1COc1ccnc2cc(C(N)=O)c(OC3CC3)cc12.
What is the InChIKey of 6-cyclopropyloxy-4-[[(2S,3S,4S)-4-fluoro-3-methyl-5-oxopyrrolidin-2-yl]methoxy]quinoline-7-carboxamide?
The InChIKey is QGVKANYGHVPKEC-YCELRVBUSA-N. The full InChI is InChI=1S/C19H20FN3O4/c1-9-14(23-19(25)17(9)20)8-26-15-4-5-22-13-6-12(18(21)24)16(7-11(13)15)27-10-2-3-10/h4-7,9-10,14,17H,2-3,8H2,1H3,(H2,21,24)(H,23,25)/t9-,14+,17-/m0/s1.
What are the key properties of 6-cyclopropyloxy-4-[[(2S,3S,4S)-4-fluoro-3-methyl-5-oxopyrrolidin-2-yl]methoxy]quinoline-7-carboxamide?
6-cyclopropyloxy-4-[[(2S,3S,4S)-4-fluoro-3-methyl-5-oxopyrrolidin-2-yl]methoxy]quinoline-7-carboxamide has a molecular weight of 373.38 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyloxy-4-[[(2S,3S,4S)-4-fluoro-3-methyl-5-oxopyrrolidin-2-yl]methoxy]quinoline-7-carboxamide is sourced from PubChem (CID 134487367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).