4-[(6-fluoro-4-oxo-3-azabicyclo[3.1.0]hexan-2-yl)methoxy]-6-methoxyquinoline-7-carboxamide

C17H16FN3O4 — CID 144937053

IUPAC4-[(6-fluoro-4-oxo-3-azabicyclo[3.1.0]hexan-2-yl)methoxy]-6-methoxyquinoline-7-carboxamide
SMILESCOc1cc2c(OCC3NC(=O)C4C(F)C34)ccnc2cc1C(N)=O
InChIInChI=1S/C17H16FN3O4/c1-24-12-5-7-9(4-8(12)16(19)22)20-3-2-11(7)25-6-10-13-14(15(13)18)17(23)21-10/h2-5,10,13-15H,6H2,1H3,(H2,19,22)(H,21,23)
InChIKeyBXRVBEJGSOBDON-UHFFFAOYSA-N
MW345.33 g/mol
LogP0.80
Rot. Bonds5

About 4-[(6-fluoro-4-oxo-3-azabicyclo[3.1.0]hexan-2-yl)methoxy]-6-methoxyquinoline-7-carboxamide

4-[(6-fluoro-4-oxo-3-azabicyclo[3.1.0]hexan-2-yl)methoxy]-6-methoxyquinoline-7-carboxamide (PubChem CID 144937053) has the molecular formula C17H16FN3O4 and a molecular weight of 345.33 g/mol. Its IUPAC name is 4-[(6-fluoro-4-oxo-3-azabicyclo[3.1.0]hexan-2-yl)methoxy]-6-methoxyquinoline-7-carboxamide.

Molecular Properties

Compound Name4-[(6-fluoro-4-oxo-3-azabicyclo[3.1.0]hexan-2-yl)methoxy]-6-methoxyquinoline-7-carboxamide
PubChem CID144937053
Molecular FormulaC17H16FN3O4
Molecular Weight345.33 g/mol
Exact Mass345.11
IUPAC Name4-[(6-fluoro-4-oxo-3-azabicyclo[3.1.0]hexan-2-yl)methoxy]-6-methoxyquinoline-7-carboxamide
SMILESCOc1cc2c(OCC3NC(=O)C4C(F)C34)ccnc2cc1C(N)=O
InChIInChI=1S/C17H16FN3O4/c1-24-12-5-7-9(4-8(12)16(19)22)20-3-2-11(7)25-6-10-13-14(15(13)18)17(23)21-10/h2-5,10,13-15H,6H2,1H3,(H2,19,22)(H,21,23)
InChIKeyBXRVBEJGSOBDON-UHFFFAOYSA-N
XLogP0.80
TPSA103.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.33
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[(6-fluoro-4-oxo-3-azabicyclo[3.1.0]hexan-2-yl)methoxy]-6-methoxyquinoline-7-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

1-[[(1S,2S,5R,6S)-6-fluoro-4-oxo-3-azabicyclo[3.1.0]hexan-2-yl]methoxy]-7-methoxyisoquinoline-6-carboxamide
CID 118424430
6-cyclopropyloxy-4-[[(2S,3S,4S)-4-fluoro-3-methyl-5-oxopyrrolidin-2-yl]methoxy]quinoline-7-carboxamide
CID 134487367
1-[[6-(difluoromethyl)-4-oxo-3-azabicyclo[3.1.0]hexan-2-yl]methoxy]-7-methoxyisoquinoline-6-carboxamide
CID 166972396
7-methoxy-1-[[(1S,2S,5R)-6-methyl-4-oxo-3-azabicyclo[3.1.0]hexan-2-yl]methoxy]isoquinoline-6-carboxamide
CID 118414309
1-[[(1R,2S,5R,6R)-6-(2-fluoroethyl)-4-oxo-3-azabicyclo[3.1.0]hexan-2-yl]methoxy]-7-methoxyisoquinoline-6-carboxamide
CID 139462622
1-[[(2S,3S)-4-fluoro-3-methyl-5-oxopyrrolidin-2-yl]methoxy]-7-methoxyisoquinoline-6-carboxamide
CID 155582589
1-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-7-methoxyisoquinoline-6-carboxamide
CID 118414016
1-[[(2S,3R,4R)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-7-methoxyisoquinoline-6-carboxamide
CID 118414556
4-ethyl-3-fluoro-5-[(6-methoxy-7-methylquinolin-4-yl)oxymethyl]pyrrolidin-2-one
CID 166972582
4-[[(2R)-5-oxopyrrolidin-2-yl]methoxy]-6-propan-2-yloxyquinoline-7-carboxamide
CID 138726883
1-[[(2S,3R,4R)-3,4-dimethyl-5-oxopyrrolidin-2-yl]methoxy]-7-methoxyisoquinoline-6-carboxamide
CID 118414733
7-methoxy-1-[[(2S,3S,4S)-4-methoxy-3-methyl-5-oxopyrrolidin-2-yl]methoxy]isoquinoline-6-carboxamide
CID 118414586

Frequently Asked Questions

What is the IUPAC name of 4-[(6-fluoro-4-oxo-3-azabicyclo[3.1.0]hexan-2-yl)methoxy]-6-methoxyquinoline-7-carboxamide?
The IUPAC name of 4-[(6-fluoro-4-oxo-3-azabicyclo[3.1.0]hexan-2-yl)methoxy]-6-methoxyquinoline-7-carboxamide (CID 144937053) is 4-[(6-fluoro-4-oxo-3-azabicyclo[3.1.0]hexan-2-yl)methoxy]-6-methoxyquinoline-7-carboxamide.
What is the SMILES notation for 4-[(6-fluoro-4-oxo-3-azabicyclo[3.1.0]hexan-2-yl)methoxy]-6-methoxyquinoline-7-carboxamide?
The canonical SMILES for 4-[(6-fluoro-4-oxo-3-azabicyclo[3.1.0]hexan-2-yl)methoxy]-6-methoxyquinoline-7-carboxamide is COc1cc2c(OCC3NC(=O)C4C(F)C34)ccnc2cc1C(N)=O.
What is the InChIKey of 4-[(6-fluoro-4-oxo-3-azabicyclo[3.1.0]hexan-2-yl)methoxy]-6-methoxyquinoline-7-carboxamide?
The InChIKey is BXRVBEJGSOBDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O4/c1-24-12-5-7-9(4-8(12)16(19)22)20-3-2-11(7)25-6-10-13-14(15(13)18)17(23)21-10/h2-5,10,13-15H,6H2,1H3,(H2,19,22)(H,21,23).
What are the key properties of 4-[(6-fluoro-4-oxo-3-azabicyclo[3.1.0]hexan-2-yl)methoxy]-6-methoxyquinoline-7-carboxamide?
4-[(6-fluoro-4-oxo-3-azabicyclo[3.1.0]hexan-2-yl)methoxy]-6-methoxyquinoline-7-carboxamide has a molecular weight of 345.33 g/mol, XLogP of 0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-fluoro-4-oxo-3-azabicyclo[3.1.0]hexan-2-yl)methoxy]-6-methoxyquinoline-7-carboxamide is sourced from PubChem (CID 144937053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).