methyl 5-(1,2,3,4-tetrahydroquinolin-8-yloxymethyl)furan-2-carboxylate

C16H17NO4 — CID 61027038

IUPACmethyl 5-(1,2,3,4-tetrahydroquinolin-8-yloxymethyl)furan-2-carboxylate
SMILESCOC(=O)c1ccc(COc2cccc3c2NCCC3)o1
InChIInChI=1S/C16H17NO4/c1-19-16(18)14-8-7-12(21-14)10-20-13-6-2-4-11-5-3-9-17-15(11)13/h2,4,6-8,17H,3,5,9-10H2,1H3
InChIKeyKIMMZGOVEDQBRZ-UHFFFAOYSA-N
MW287.31 g/mol
LogP3.00
Rot. Bonds4

About methyl 5-(1,2,3,4-tetrahydroquinolin-8-yloxymethyl)furan-2-carboxylate

methyl 5-(1,2,3,4-tetrahydroquinolin-8-yloxymethyl)furan-2-carboxylate (PubChem CID 61027038) has the molecular formula C16H17NO4 and a molecular weight of 287.31 g/mol. Its IUPAC name is methyl 5-(1,2,3,4-tetrahydroquinolin-8-yloxymethyl)furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(1,2,3,4-tetrahydroquinolin-8-yloxymethyl)furan-2-carboxylate
PubChem CID61027038
Molecular FormulaC16H17NO4
Molecular Weight287.31 g/mol
Exact Mass287.12
IUPAC Namemethyl 5-(1,2,3,4-tetrahydroquinolin-8-yloxymethyl)furan-2-carboxylate
SMILESCOC(=O)c1ccc(COc2cccc3c2NCCC3)o1
InChIInChI=1S/C16H17NO4/c1-19-16(18)14-8-7-12(21-14)10-20-13-6-2-4-11-5-3-9-17-15(11)13/h2,4,6-8,17H,3,5,9-10H2,1H3
InChIKeyKIMMZGOVEDQBRZ-UHFFFAOYSA-N
XLogP3.00
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 5-(1,2,3,4-tetrahydroquinolin-8-yloxymethyl)furan-2-carboxylate with MolForge

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Related Compounds

8-[(5-nitrofuran-2-yl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 61026787
3-methyl-5-(1,2,3,4-tetrahydroquinolin-8-yloxymethyl)-1,2-oxazole
CID 54909170
N-ethyl-3-(1,2,3,4-tetrahydroquinolin-8-yloxy)propanamide
CID 62324258
methyl 4-(1,2,3,4-tetrahydroquinolin-8-yloxy)pyridine-2-carboxylate
CID 66286325
methyl 5-[(2,6-dibromophenoxy)methyl]furan-2-carboxylate
CID 60594327
3-(1,2,3,4-tetrahydroquinolin-8-yloxy)propan-1-ol
CID 61027554
8-(2-fluoro-2-methylpropoxy)-1,2,3,4-tetrahydroquinoline
CID 115075715
methyl 5-[[6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-oxopyran-3-yl]oxymethyl]furan-2-carboxylate
CID 7292989
methyl 5-[(2,5-dichlorophenoxy)methyl]furan-2-carboxylate
CID 950139
methyl 5-[(2-methoxy-4-methylphenoxy)methyl]furan-2-carboxylate
CID 4193916
methyl 5-[(2-acetyl-4-fluorophenoxy)methyl]furan-2-carboxylate
CID 112787676
8-(3-phenylpropoxy)-1,2,3,4-tetrahydroquinoline
CID 28553513

Frequently Asked Questions

What is the IUPAC name of methyl 5-(1,2,3,4-tetrahydroquinolin-8-yloxymethyl)furan-2-carboxylate?
The IUPAC name of methyl 5-(1,2,3,4-tetrahydroquinolin-8-yloxymethyl)furan-2-carboxylate (CID 61027038) is methyl 5-(1,2,3,4-tetrahydroquinolin-8-yloxymethyl)furan-2-carboxylate.
What is the SMILES notation for methyl 5-(1,2,3,4-tetrahydroquinolin-8-yloxymethyl)furan-2-carboxylate?
The canonical SMILES for methyl 5-(1,2,3,4-tetrahydroquinolin-8-yloxymethyl)furan-2-carboxylate is COC(=O)c1ccc(COc2cccc3c2NCCC3)o1.
What is the InChIKey of methyl 5-(1,2,3,4-tetrahydroquinolin-8-yloxymethyl)furan-2-carboxylate?
The InChIKey is KIMMZGOVEDQBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-19-16(18)14-8-7-12(21-14)10-20-13-6-2-4-11-5-3-9-17-15(11)13/h2,4,6-8,17H,3,5,9-10H2,1H3.
What are the key properties of methyl 5-(1,2,3,4-tetrahydroquinolin-8-yloxymethyl)furan-2-carboxylate?
methyl 5-(1,2,3,4-tetrahydroquinolin-8-yloxymethyl)furan-2-carboxylate has a molecular weight of 287.31 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(1,2,3,4-tetrahydroquinolin-8-yloxymethyl)furan-2-carboxylate is sourced from PubChem (CID 61027038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).