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

C17H13ClN2O4 — CID 60619402

IUPAC5-chloro-8-[(2-methoxy-4-nitrophenoxy)methyl]quinoline
SMILESCOc1cc([N+](=O)[O-])ccc1OCc1ccc(Cl)c2cccnc12
InChIInChI=1S/C17H13ClN2O4/c1-23-16-9-12(20(21)22)5-7-15(16)24-10-11-4-6-14(18)13-3-2-8-19-17(11)13/h2-9H,10H2,1H3
InChIKeyRXLHJOCIJFUSCX-UHFFFAOYSA-N
MW344.75 g/mol
LogP4.38
Rot. Bonds5

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

5-chloro-8-[(2-methoxy-4-nitrophenoxy)methyl]quinoline (PubChem CID 60619402) has the molecular formula C17H13ClN2O4 and a molecular weight of 344.75 g/mol. Its IUPAC name is 5-chloro-8-[(2-methoxy-4-nitrophenoxy)methyl]quinoline.

Molecular Properties

Compound Name5-chloro-8-[(2-methoxy-4-nitrophenoxy)methyl]quinoline
PubChem CID60619402
Molecular FormulaC17H13ClN2O4
Molecular Weight344.75 g/mol
Exact Mass344.06
IUPAC Name5-chloro-8-[(2-methoxy-4-nitrophenoxy)methyl]quinoline
SMILESCOc1cc([N+](=O)[O-])ccc1OCc1ccc(Cl)c2cccnc12
InChIInChI=1S/C17H13ClN2O4/c1-23-16-9-12(20(21)22)5-7-15(16)24-10-11-4-6-14(18)13-3-2-8-19-17(11)13/h2-9H,10H2,1H3
InChIKeyRXLHJOCIJFUSCX-UHFFFAOYSA-N
XLogP4.38
TPSA74.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.75
LogP ≤ 54.38
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

2,6-dichloro-3-[(2-methoxy-4-nitrophenoxy)methyl]pyridine
CID 106994569
1,2-bis[(2-methoxyphenyl)methoxy]-4-nitrobenzene
CID 142794424
2-chloro-3-[(2-methyl-4-nitrophenoxy)methyl]pyridine
CID 113338052
2-chloro-3-[(2-chloro-4-nitrophenyl)methoxy]pyridine
CID 65102083
2,6-dichloro-3-[(2-methoxy-5-nitrophenoxy)methyl]pyridine
CID 106994414
2-chloro-5-[(2-methoxy-4-nitrophenoxy)methyl]-1,3-thiazole
CID 79765252
2-chloro-5-[(2-methoxy-4-nitrophenoxy)methyl]-1,3,4-thiadiazole
CID 80607055
2-(5-chloroquinolin-8-yl)oxy-N-(2-methyl-5-nitrophenyl)acetamide
CID 8716261
5-[(2-methoxy-4-nitrophenoxy)methyl]-2-methylpyridine
CID 162519959
5-[(2-methoxy-4-nitrophenoxy)methyl]-1H-pyrazole
CID 162519870
1-chloro-2-[(2-methylphenoxy)methyl]-4-nitrobenzene
CID 43169195
2-[(2-methoxy-5-nitrophenyl)methoxy]-1,3-dimethylbenzene
CID 83044556

Frequently Asked Questions

What is the IUPAC name of 5-chloro-8-[(2-methoxy-4-nitrophenoxy)methyl]quinoline?
The IUPAC name of 5-chloro-8-[(2-methoxy-4-nitrophenoxy)methyl]quinoline (CID 60619402) is 5-chloro-8-[(2-methoxy-4-nitrophenoxy)methyl]quinoline.
What is the SMILES notation for 5-chloro-8-[(2-methoxy-4-nitrophenoxy)methyl]quinoline?
The canonical SMILES for 5-chloro-8-[(2-methoxy-4-nitrophenoxy)methyl]quinoline is COc1cc([N+](=O)[O-])ccc1OCc1ccc(Cl)c2cccnc12.
What is the InChIKey of 5-chloro-8-[(2-methoxy-4-nitrophenoxy)methyl]quinoline?
The InChIKey is RXLHJOCIJFUSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O4/c1-23-16-9-12(20(21)22)5-7-15(16)24-10-11-4-6-14(18)13-3-2-8-19-17(11)13/h2-9H,10H2,1H3.
What are the key properties of 5-chloro-8-[(2-methoxy-4-nitrophenoxy)methyl]quinoline?
5-chloro-8-[(2-methoxy-4-nitrophenoxy)methyl]quinoline has a molecular weight of 344.75 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-8-[(2-methoxy-4-nitrophenoxy)methyl]quinoline is sourced from PubChem (CID 60619402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).