6-methoxy-5-[(4-methoxyphenyl)methoxy]-8-nitroquinoline

C18H16N2O5 — CID 57350827

IUPAC6-methoxy-5-[(4-methoxyphenyl)methoxy]-8-nitroquinoline
SMILESCOc1ccc(COc2c(OC)cc([N+](=O)[O-])c3ncccc23)cc1
InChIInChI=1S/C18H16N2O5/c1-23-13-7-5-12(6-8-13)11-25-18-14-4-3-9-19-17(14)15(20(21)22)10-16(18)24-2/h3-10H,11H2,1-2H3
InChIKeyXJFOTLPAQAGVMN-UHFFFAOYSA-N
MW340.34 g/mol
LogP3.74
Rot. Bonds6

About 6-methoxy-5-[(4-methoxyphenyl)methoxy]-8-nitroquinoline

6-methoxy-5-[(4-methoxyphenyl)methoxy]-8-nitroquinoline (PubChem CID 57350827) has the molecular formula C18H16N2O5 and a molecular weight of 340.34 g/mol. Its IUPAC name is 6-methoxy-5-[(4-methoxyphenyl)methoxy]-8-nitroquinoline.

Molecular Properties

Compound Name6-methoxy-5-[(4-methoxyphenyl)methoxy]-8-nitroquinoline
PubChem CID57350827
Molecular FormulaC18H16N2O5
Molecular Weight340.34 g/mol
Exact Mass340.11
IUPAC Name6-methoxy-5-[(4-methoxyphenyl)methoxy]-8-nitroquinoline
SMILESCOc1ccc(COc2c(OC)cc([N+](=O)[O-])c3ncccc23)cc1
InChIInChI=1S/C18H16N2O5/c1-23-13-7-5-12(6-8-13)11-25-18-14-4-3-9-19-17(14)15(20(21)22)10-16(18)24-2/h3-10H,11H2,1-2H3
InChIKeyXJFOTLPAQAGVMN-UHFFFAOYSA-N
XLogP3.74
TPSA83.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

6-methoxy-N,N-dimethyl-8-nitroquinolin-5-amine
CID 619014
CID 154661760
CID 154661760
4-chloro-2-[(4-methoxyphenyl)methoxy]-1-nitrobenzene
CID 78976835
4-fluoro-2-[(4-methoxyphenyl)methoxy]-1-nitrobenzene
CID 112722723
6-chloro-2-[(4-methoxyphenyl)methoxy]-3-nitropyridine
CID 43330217
3-[(4-methoxy-3-nitrophenyl)methoxy]pyridine
CID 112558634
6,7-dimethoxy-8-nitroquinoline
CID 616387
1-chloro-4-[(4-methoxyphenyl)methoxy]-2-nitrobenzene
CID 10661416
8-methoxy-5-nitroquinoline;nitric acid
CID 17380294
7-[[(2,4-dimethoxyphenyl)methylamino]methyl]-5-nitroquinolin-8-ol
CID 131987064
4-methoxy-N-[(E)-[3-methoxy-4-[(4-methylphenyl)methoxy]-5-nitrophenyl]methylideneamino]aniline
CID 110508966
N-[(4-methoxyphenyl)methyl]-N-methyl-3-nitropyridin-2-amine
CID 9112758

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-5-[(4-methoxyphenyl)methoxy]-8-nitroquinoline?
The IUPAC name of 6-methoxy-5-[(4-methoxyphenyl)methoxy]-8-nitroquinoline (CID 57350827) is 6-methoxy-5-[(4-methoxyphenyl)methoxy]-8-nitroquinoline.
What is the SMILES notation for 6-methoxy-5-[(4-methoxyphenyl)methoxy]-8-nitroquinoline?
The canonical SMILES for 6-methoxy-5-[(4-methoxyphenyl)methoxy]-8-nitroquinoline is COc1ccc(COc2c(OC)cc([N+](=O)[O-])c3ncccc23)cc1.
What is the InChIKey of 6-methoxy-5-[(4-methoxyphenyl)methoxy]-8-nitroquinoline?
The InChIKey is XJFOTLPAQAGVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O5/c1-23-13-7-5-12(6-8-13)11-25-18-14-4-3-9-19-17(14)15(20(21)22)10-16(18)24-2/h3-10H,11H2,1-2H3.
What are the key properties of 6-methoxy-5-[(4-methoxyphenyl)methoxy]-8-nitroquinoline?
6-methoxy-5-[(4-methoxyphenyl)methoxy]-8-nitroquinoline has a molecular weight of 340.34 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-5-[(4-methoxyphenyl)methoxy]-8-nitroquinoline is sourced from PubChem (CID 57350827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).