8-[(5-nitrofuran-2-yl)methoxy]-1,2,3,4-tetrahydroquinoline

C14H14N2O4 — CID 61026787

IUPAC8-[(5-nitrofuran-2-yl)methoxy]-1,2,3,4-tetrahydroquinoline
SMILESO=[N+]([O-])c1ccc(COc2cccc3c2NCCC3)o1
InChIInChI=1S/C14H14N2O4/c17-16(18)13-7-6-11(20-13)9-19-12-5-1-3-10-4-2-8-15-14(10)12/h1,3,5-7,15H,2,4,8-9H2
InChIKeySEYTURPOIQQIJP-UHFFFAOYSA-N
MW274.28 g/mol
LogP3.12
Rot. Bonds4

About 8-[(5-nitrofuran-2-yl)methoxy]-1,2,3,4-tetrahydroquinoline

8-[(5-nitrofuran-2-yl)methoxy]-1,2,3,4-tetrahydroquinoline (PubChem CID 61026787) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 8-[(5-nitrofuran-2-yl)methoxy]-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name8-[(5-nitrofuran-2-yl)methoxy]-1,2,3,4-tetrahydroquinoline
PubChem CID61026787
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name8-[(5-nitrofuran-2-yl)methoxy]-1,2,3,4-tetrahydroquinoline
SMILESO=[N+]([O-])c1ccc(COc2cccc3c2NCCC3)o1
InChIInChI=1S/C14H14N2O4/c17-16(18)13-7-6-11(20-13)9-19-12-5-1-3-10-4-2-8-15-14(10)12/h1,3,5-7,15H,2,4,8-9H2
InChIKeySEYTURPOIQQIJP-UHFFFAOYSA-N
XLogP3.12
TPSA77.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 53.12
H-Bond Donors ≤ 51
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

methyl 5-(1,2,3,4-tetrahydroquinolin-8-yloxymethyl)furan-2-carboxylate
CID 61027038
8-(3-nitrophenoxy)-1,2,3,4-tetrahydroquinoline
CID 61025966
2-methyl-5-(1,2,3,4-tetrahydroquinolin-8-yloxymethyl)-1,3,4-oxadiazole
CID 54909125
3-[(5-nitrofuran-2-yl)methoxy]pyridine-2-carboxylic acid
CID 61380335
8-[(3-methyl-5-nitro-2-pyridinyl)oxy]-1,2,3,4-tetrahydroquinoline
CID 62475365
3-(1,2,3,4-tetrahydroquinolin-8-yloxy)propan-1-ol
CID 61027554
8-(5-fluoro-2-nitrophenoxy)-1,2,3,4-tetrahydroquinoline
CID 62378003
5-methyl-3-(1,2,3,4-tetrahydroquinolin-8-yloxymethyl)-1,2,4-oxadiazole
CID 54909082
4-[(5-nitrofuran-2-yl)methoxy]benzonitrile
CID 43143176
8-[(2-chloro-3-fluorophenyl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115984072
8-but-3-enoxy-1,2,3,4-tetrahydroquinoline
CID 10631987
8-(2-fluoro-2-methylpropoxy)-1,2,3,4-tetrahydroquinoline
CID 115075715

Frequently Asked Questions

What is the IUPAC name of 8-[(5-nitrofuran-2-yl)methoxy]-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 8-[(5-nitrofuran-2-yl)methoxy]-1,2,3,4-tetrahydroquinoline (CID 61026787) is 8-[(5-nitrofuran-2-yl)methoxy]-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 8-[(5-nitrofuran-2-yl)methoxy]-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 8-[(5-nitrofuran-2-yl)methoxy]-1,2,3,4-tetrahydroquinoline is O=[N+]([O-])c1ccc(COc2cccc3c2NCCC3)o1.
What is the InChIKey of 8-[(5-nitrofuran-2-yl)methoxy]-1,2,3,4-tetrahydroquinoline?
The InChIKey is SEYTURPOIQQIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c17-16(18)13-7-6-11(20-13)9-19-12-5-1-3-10-4-2-8-15-14(10)12/h1,3,5-7,15H,2,4,8-9H2.
What are the key properties of 8-[(5-nitrofuran-2-yl)methoxy]-1,2,3,4-tetrahydroquinoline?
8-[(5-nitrofuran-2-yl)methoxy]-1,2,3,4-tetrahydroquinoline has a molecular weight of 274.28 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(5-nitrofuran-2-yl)methoxy]-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 61026787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).