8-[(4-chloro-2-nitrophenoxy)methyl]-6-fluoroquinoline

C16H10ClFN2O3 — CID 38829933

IUPAC8-[(4-chloro-2-nitrophenoxy)methyl]-6-fluoroquinoline
SMILESO=[N+]([O-])c1cc(Cl)ccc1OCc1cc(F)cc2cccnc12
InChIInChI=1S/C16H10ClFN2O3/c17-12-3-4-15(14(8-12)20(21)22)23-9-11-7-13(18)6-10-2-1-5-19-16(10)11/h1-8H,9H2
InChIKeyIOWCTTBBAOTZBN-UHFFFAOYSA-N
MW332.72 g/mol
LogP4.51
Rot. Bonds4

About 8-[(4-chloro-2-nitrophenoxy)methyl]-6-fluoroquinoline

8-[(4-chloro-2-nitrophenoxy)methyl]-6-fluoroquinoline (PubChem CID 38829933) has the molecular formula C16H10ClFN2O3 and a molecular weight of 332.72 g/mol. Its IUPAC name is 8-[(4-chloro-2-nitrophenoxy)methyl]-6-fluoroquinoline.

Molecular Properties

Compound Name8-[(4-chloro-2-nitrophenoxy)methyl]-6-fluoroquinoline
PubChem CID38829933
Molecular FormulaC16H10ClFN2O3
Molecular Weight332.72 g/mol
Exact Mass332.04
IUPAC Name8-[(4-chloro-2-nitrophenoxy)methyl]-6-fluoroquinoline
SMILESO=[N+]([O-])c1cc(Cl)ccc1OCc1cc(F)cc2cccnc12
InChIInChI=1S/C16H10ClFN2O3/c17-12-3-4-15(14(8-12)20(21)22)23-9-11-7-13(18)6-10-2-1-5-19-16(10)11/h1-8H,9H2
InChIKeyIOWCTTBBAOTZBN-UHFFFAOYSA-N
XLogP4.51
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.72
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

4-chloro-1-[(2-chlorophenyl)methoxy]-2-nitrobenzene
CID 134122523
4-chloro-1-[(3-fluorophenyl)methoxy]-2-nitrobenzene
CID 52891645
8-[(4-fluoro-2-methoxy-5-nitrophenoxy)methyl]quinoline
CID 166065865
5-chloro-2-(quinolin-8-ylmethoxy)benzaldehyde
CID 43244328
2-chloro-3-[(2,5-difluoro-4-nitrophenoxy)methyl]pyridine
CID 63597772
2-chloro-3-(4-chloro-2-nitrophenoxy)pyridine
CID 12569050
1-[(4-chloro-2-methylphenoxy)methyl]-2-fluoro-3-nitrobenzene
CID 107348630
4-[(4-chloro-2-fluorophenyl)methoxy]-3-nitrobenzaldehyde
CID 114849387
2-[(4-chloro-2-nitrophenoxy)methyl]pyridin-4-amine
CID 79251756
4-chloro-2-nitro-1-pent-4-ynoxybenzene
CID 115870869
3-[(6-fluoroquinolin-8-yl)methoxy]thiophene-2-carboxylic acid
CID 63336089
1-[(4-chloro-2-nitrophenyl)methoxy]-2,4-dimethylbenzene
CID 64764424

Frequently Asked Questions

What is the IUPAC name of 8-[(4-chloro-2-nitrophenoxy)methyl]-6-fluoroquinoline?
The IUPAC name of 8-[(4-chloro-2-nitrophenoxy)methyl]-6-fluoroquinoline (CID 38829933) is 8-[(4-chloro-2-nitrophenoxy)methyl]-6-fluoroquinoline.
What is the SMILES notation for 8-[(4-chloro-2-nitrophenoxy)methyl]-6-fluoroquinoline?
The canonical SMILES for 8-[(4-chloro-2-nitrophenoxy)methyl]-6-fluoroquinoline is O=[N+]([O-])c1cc(Cl)ccc1OCc1cc(F)cc2cccnc12.
What is the InChIKey of 8-[(4-chloro-2-nitrophenoxy)methyl]-6-fluoroquinoline?
The InChIKey is IOWCTTBBAOTZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClFN2O3/c17-12-3-4-15(14(8-12)20(21)22)23-9-11-7-13(18)6-10-2-1-5-19-16(10)11/h1-8H,9H2.
What are the key properties of 8-[(4-chloro-2-nitrophenoxy)methyl]-6-fluoroquinoline?
8-[(4-chloro-2-nitrophenoxy)methyl]-6-fluoroquinoline has a molecular weight of 332.72 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-chloro-2-nitrophenoxy)methyl]-6-fluoroquinoline is sourced from PubChem (CID 38829933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).