8-[(2,6-dimethoxy-3-nitrophenyl)methoxy]-2-methylquinoline

C19H18N2O5 — CID 10784308

IUPAC8-[(2,6-dimethoxy-3-nitrophenyl)methoxy]-2-methylquinoline
SMILESCOc1ccc([N+](=O)[O-])c(OC)c1COc1cccc2ccc(C)nc12
InChIInChI=1S/C19H18N2O5/c1-12-7-8-13-5-4-6-17(18(13)20-12)26-11-14-16(24-2)10-9-15(21(22)23)19(14)25-3/h4-10H,11H2,1-3H3
InChIKeyHPJNKHNVVUTIPV-UHFFFAOYSA-N
MW354.36 g/mol
LogP4.05
Rot. Bonds6

About 8-[(2,6-dimethoxy-3-nitrophenyl)methoxy]-2-methylquinoline

8-[(2,6-dimethoxy-3-nitrophenyl)methoxy]-2-methylquinoline (PubChem CID 10784308) has the molecular formula C19H18N2O5 and a molecular weight of 354.36 g/mol. Its IUPAC name is 8-[(2,6-dimethoxy-3-nitrophenyl)methoxy]-2-methylquinoline.

Molecular Properties

Compound Name8-[(2,6-dimethoxy-3-nitrophenyl)methoxy]-2-methylquinoline
PubChem CID10784308
Molecular FormulaC19H18N2O5
Molecular Weight354.36 g/mol
Exact Mass354.12
IUPAC Name8-[(2,6-dimethoxy-3-nitrophenyl)methoxy]-2-methylquinoline
SMILESCOc1ccc([N+](=O)[O-])c(OC)c1COc1cccc2ccc(C)nc12
InChIInChI=1S/C19H18N2O5/c1-12-7-8-13-5-4-6-17(18(13)20-12)26-11-14-16(24-2)10-9-15(21(22)23)19(14)25-3/h4-10H,11H2,1-3H3
InChIKeyHPJNKHNVVUTIPV-UHFFFAOYSA-N
XLogP4.05
TPSA83.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 54.05
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

2-methyl-8-[4-(2-nitrophenoxy)butoxy]quinoline
CID 2182124
2-amino-N-[4-methoxy-3-[(2-methylquinolin-8-yl)oxymethyl]-2-propoxyphenyl]-N-methylacetamide
CID 22008965
1-methoxy-2-nitronaphthalene
CID 10899709
3-bromo-2-[(2-methylquinolin-8-yl)oxymethyl]aniline
CID 43352151
2-methyl-8-(6-naphthalen-1-yloxy-5-nitropyrimidin-4-yl)oxyquinoline
CID 23479881
2-amino-N-[4-chloro-2-methoxy-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-N-methylacetamide
CID 54560515
8-[(6-ethyl-2-pyridinyl)methoxy]-2-methylquinoline
CID 163741532
8-[(4-chloro-6-methylpyrimidin-2-yl)methoxy]-2-methylquinoline
CID 80656920
8-[(5-bromo-2-pyridinyl)methoxy]-2-methylquinoline
CID 104809806
4-[(E)-3-[[2-[2,4-dimethoxy-N-methyl-3-[(2-methylquinolin-8-yl)oxymethyl]anilino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]-N-methylbenzamide
CID 10579159
[3-[(2-chloro-6-nitrophenyl)methoxy]-6-methyl-2-pyridinyl]methanamine
CID 79156359
2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]aniline;dihydrochloride
CID 22113140

Frequently Asked Questions

What is the IUPAC name of 8-[(2,6-dimethoxy-3-nitrophenyl)methoxy]-2-methylquinoline?
The IUPAC name of 8-[(2,6-dimethoxy-3-nitrophenyl)methoxy]-2-methylquinoline (CID 10784308) is 8-[(2,6-dimethoxy-3-nitrophenyl)methoxy]-2-methylquinoline.
What is the SMILES notation for 8-[(2,6-dimethoxy-3-nitrophenyl)methoxy]-2-methylquinoline?
The canonical SMILES for 8-[(2,6-dimethoxy-3-nitrophenyl)methoxy]-2-methylquinoline is COc1ccc([N+](=O)[O-])c(OC)c1COc1cccc2ccc(C)nc12.
What is the InChIKey of 8-[(2,6-dimethoxy-3-nitrophenyl)methoxy]-2-methylquinoline?
The InChIKey is HPJNKHNVVUTIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O5/c1-12-7-8-13-5-4-6-17(18(13)20-12)26-11-14-16(24-2)10-9-15(21(22)23)19(14)25-3/h4-10H,11H2,1-3H3.
What are the key properties of 8-[(2,6-dimethoxy-3-nitrophenyl)methoxy]-2-methylquinoline?
8-[(2,6-dimethoxy-3-nitrophenyl)methoxy]-2-methylquinoline has a molecular weight of 354.36 g/mol, XLogP of 4.05, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2,6-dimethoxy-3-nitrophenyl)methoxy]-2-methylquinoline is sourced from PubChem (CID 10784308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).