8-[(4-fluoro-2-methoxy-5-nitrophenoxy)methyl]quinoline

C17H13FN2O4 — CID 166065865

IUPAC8-[(4-fluoro-2-methoxy-5-nitrophenoxy)methyl]quinoline
SMILESCOc1cc(F)c([N+](=O)[O-])cc1OCc1cccc2cccnc12
InChIInChI=1S/C17H13FN2O4/c1-23-15-8-13(18)14(20(21)22)9-16(15)24-10-12-5-2-4-11-6-3-7-19-17(11)12/h2-9H,10H2,1H3
InChIKeyUBXAMTHVIDQGGN-UHFFFAOYSA-N
MW328.30 g/mol
LogP3.87
Rot. Bonds5

About 8-[(4-fluoro-2-methoxy-5-nitrophenoxy)methyl]quinoline

8-[(4-fluoro-2-methoxy-5-nitrophenoxy)methyl]quinoline (PubChem CID 166065865) has the molecular formula C17H13FN2O4 and a molecular weight of 328.30 g/mol. Its IUPAC name is 8-[(4-fluoro-2-methoxy-5-nitrophenoxy)methyl]quinoline.

Molecular Properties

Compound Name8-[(4-fluoro-2-methoxy-5-nitrophenoxy)methyl]quinoline
PubChem CID166065865
Molecular FormulaC17H13FN2O4
Molecular Weight328.30 g/mol
Exact Mass328.09
IUPAC Name8-[(4-fluoro-2-methoxy-5-nitrophenoxy)methyl]quinoline
SMILESCOc1cc(F)c([N+](=O)[O-])cc1OCc1cccc2cccnc12
InChIInChI=1S/C17H13FN2O4/c1-23-15-8-13(18)14(20(21)22)9-16(15)24-10-12-5-2-4-11-6-3-7-19-17(11)12/h2-9H,10H2,1H3
InChIKeyUBXAMTHVIDQGGN-UHFFFAOYSA-N
XLogP3.87
TPSA74.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.30
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-chloro-8-[(4-fluoro-2-methoxy-5-nitrophenoxy)methyl]isoquinoline
CID 166065840
8-[[6,13,20-trimethoxy-12,19-bis(quinolin-8-ylmethoxy)-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaenyl]oxymethyl]quinoline
CID 11285895
6,7-difluoro-5-[(4-fluoro-2-methoxy-5-nitrophenoxy)methyl]quinoxaline
CID 166065924
8-[(4-chloro-2-nitrophenoxy)methyl]-6-fluoroquinoline
CID 38829933
2-chloro-3-[(2,5-difluoro-4-nitrophenoxy)methyl]pyridine
CID 63597772
5-chloro-8-[(4-fluoro-2-methoxy-5-nitrophenoxy)methyl]isoquinoline
CID 166065720
4-chloro-7-[(4-fluoro-2-methoxy-5-nitrophenoxy)methyl]-2,3-dihydro-1-benzofuran
CID 166065842
[5-fluoro-2-(quinolin-8-ylmethoxy)phenyl]methanamine
CID 107695009
3-[2-fluoro-4-methoxy-5-(quinolin-8-ylmethoxy)phenyl]-2,4-dioxo-1H-thieno[3,4-d]pyrimidine-5-carboxylic acid
CID 175340563
8-[[4-(bromomethyl)-2-fluorophenoxy]methyl]quinoline
CID 107691850
2-[[4-(bromomethyl)-2-methoxy-5-nitrophenoxy]methyl]pyrimidine
CID 62699573
1-[4-methoxy-2-(quinolin-8-ylmethoxy)phenyl]ethanone
CID 33079900

Frequently Asked Questions

What is the IUPAC name of 8-[(4-fluoro-2-methoxy-5-nitrophenoxy)methyl]quinoline?
The IUPAC name of 8-[(4-fluoro-2-methoxy-5-nitrophenoxy)methyl]quinoline (CID 166065865) is 8-[(4-fluoro-2-methoxy-5-nitrophenoxy)methyl]quinoline.
What is the SMILES notation for 8-[(4-fluoro-2-methoxy-5-nitrophenoxy)methyl]quinoline?
The canonical SMILES for 8-[(4-fluoro-2-methoxy-5-nitrophenoxy)methyl]quinoline is COc1cc(F)c([N+](=O)[O-])cc1OCc1cccc2cccnc12.
What is the InChIKey of 8-[(4-fluoro-2-methoxy-5-nitrophenoxy)methyl]quinoline?
The InChIKey is UBXAMTHVIDQGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O4/c1-23-15-8-13(18)14(20(21)22)9-16(15)24-10-12-5-2-4-11-6-3-7-19-17(11)12/h2-9H,10H2,1H3.
What are the key properties of 8-[(4-fluoro-2-methoxy-5-nitrophenoxy)methyl]quinoline?
8-[(4-fluoro-2-methoxy-5-nitrophenoxy)methyl]quinoline has a molecular weight of 328.30 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-fluoro-2-methoxy-5-nitrophenoxy)methyl]quinoline is sourced from PubChem (CID 166065865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).