4-(3-fluoro-4-nitrophenoxy)-7-methoxy-6-methylquinoline;propane

C20H21FN2O4 — CID 142137161

IUPAC4-(3-fluoro-4-nitrophenoxy)-7-methoxy-6-methylquinoline;propane
SMILESCCC.COc1cc2nccc(Oc3ccc([N+](=O)[O-])c(F)c3)c2cc1C
InChIInChI=1S/C17H13FN2O4.C3H8/c1-10-7-12-14(9-17(10)23-2)19-6-5-16(12)24-11-3-4-15(20(21)22)13(18)8-11;1-3-2/h3-9H,1-2H3;3H2,1-2H3
InChIKeySDZINVJYCXYYNV-UHFFFAOYSA-N
MW372.40 g/mol
LogP5.81
Rot. Bonds4

About 4-(3-fluoro-4-nitrophenoxy)-7-methoxy-6-methylquinoline;propane

4-(3-fluoro-4-nitrophenoxy)-7-methoxy-6-methylquinoline;propane (PubChem CID 142137161) has the molecular formula C20H21FN2O4 and a molecular weight of 372.40 g/mol. Its IUPAC name is 4-(3-fluoro-4-nitrophenoxy)-7-methoxy-6-methylquinoline;propane.

Molecular Properties

Compound Name4-(3-fluoro-4-nitrophenoxy)-7-methoxy-6-methylquinoline;propane
PubChem CID142137161
Molecular FormulaC20H21FN2O4
Molecular Weight372.40 g/mol
Exact Mass372.15
IUPAC Name4-(3-fluoro-4-nitrophenoxy)-7-methoxy-6-methylquinoline;propane
SMILESCCC.COc1cc2nccc(Oc3ccc([N+](=O)[O-])c(F)c3)c2cc1C
InChIInChI=1S/C17H13FN2O4.C3H8/c1-10-7-12-14(9-17(10)23-2)19-6-5-16(12)24-11-3-4-15(20(21)22)13(18)8-11;1-3-2/h3-9H,1-2H3;3H2,1-2H3
InChIKeySDZINVJYCXYYNV-UHFFFAOYSA-N
XLogP5.81
TPSA74.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.40
LogP ≤ 55.81
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

4-(3-fluoro-4-nitrophenoxy)-6,7-dimethoxyquinoline;hydrochloride
CID 133054183
4-(3-fluoro-4-nitrophenoxy)-6-methoxyquinolin-7-ol
CID 135621708
4-(3-chloro-4-nitrophenoxy)-7-methoxyquinoline-6-carboxylic acid
CID 134333908
1-[2-fluoro-4-(7-methoxy-6-methylquinolin-4-yl)oxyphenyl]-3-methylurea
CID 70953580
ethane;4-(2-fluoro-4-nitrophenoxy)-6-methoxy-7-methylquinoline
CID 143647632
N-[4-(3-chloro-4-nitrophenoxy)-7-methoxyquinolin-6-yl]acetamide
CID 134334020
4-(4-chloro-3-nitrophenoxy)-7-methoxyquinoline-6-carboxylic acid
CID 22936444
ethyl 2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]-2-oxoacetate
CID 155671429
4-(2-fluoro-4-nitrophenoxy)-6,7-dimethylquinoline
CID 134392084
4-(bromomethyl)-1-(3-fluoro-4-nitrophenoxy)-2-methylbenzene
CID 107088217
4-[7-(2-methoxyethoxy)-6-nitroquinolin-4-yl]oxyaniline
CID 142410654
methyl 4-(3-fluoro-4-nitrophenoxy)pyridine-2-carboxylate
CID 23153479

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-4-nitrophenoxy)-7-methoxy-6-methylquinoline;propane?
The IUPAC name of 4-(3-fluoro-4-nitrophenoxy)-7-methoxy-6-methylquinoline;propane (CID 142137161) is 4-(3-fluoro-4-nitrophenoxy)-7-methoxy-6-methylquinoline;propane.
What is the SMILES notation for 4-(3-fluoro-4-nitrophenoxy)-7-methoxy-6-methylquinoline;propane?
The canonical SMILES for 4-(3-fluoro-4-nitrophenoxy)-7-methoxy-6-methylquinoline;propane is CCC.COc1cc2nccc(Oc3ccc([N+](=O)[O-])c(F)c3)c2cc1C.
What is the InChIKey of 4-(3-fluoro-4-nitrophenoxy)-7-methoxy-6-methylquinoline;propane?
The InChIKey is SDZINVJYCXYYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O4.C3H8/c1-10-7-12-14(9-17(10)23-2)19-6-5-16(12)24-11-3-4-15(20(21)22)13(18)8-11;1-3-2/h3-9H,1-2H3;3H2,1-2H3.
What are the key properties of 4-(3-fluoro-4-nitrophenoxy)-7-methoxy-6-methylquinoline;propane?
4-(3-fluoro-4-nitrophenoxy)-7-methoxy-6-methylquinoline;propane has a molecular weight of 372.40 g/mol, XLogP of 5.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-4-nitrophenoxy)-7-methoxy-6-methylquinoline;propane is sourced from PubChem (CID 142137161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).