N-[3-(furan-2-ylmethoxy)propyl]quinoline-8-carboxamide

C18H18N2O3 — CID 51296890

IUPACN-[3-(furan-2-ylmethoxy)propyl]quinoline-8-carboxamide
SMILESO=C(NCCCOCc1ccco1)c1cccc2cccnc12
InChIInChI=1S/C18H18N2O3/c21-18(16-8-1-5-14-6-2-9-19-17(14)16)20-10-4-11-22-13-15-7-3-12-23-15/h1-3,5-9,12H,4,10-11,13H2,(H,20,21)
InChIKeyOZNRRFINPUKOHA-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.16
Rot. Bonds7

About N-[3-(furan-2-ylmethoxy)propyl]quinoline-8-carboxamide

N-[3-(furan-2-ylmethoxy)propyl]quinoline-8-carboxamide (PubChem CID 51296890) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is N-[3-(furan-2-ylmethoxy)propyl]quinoline-8-carboxamide.

Molecular Properties

Compound NameN-[3-(furan-2-ylmethoxy)propyl]quinoline-8-carboxamide
PubChem CID51296890
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC NameN-[3-(furan-2-ylmethoxy)propyl]quinoline-8-carboxamide
SMILESO=C(NCCCOCc1ccco1)c1cccc2cccnc12
InChIInChI=1S/C18H18N2O3/c21-18(16-8-1-5-14-6-2-9-19-17(14)16)20-10-4-11-22-13-15-7-3-12-23-15/h1-3,5-9,12H,4,10-11,13H2,(H,20,21)
InChIKeyOZNRRFINPUKOHA-UHFFFAOYSA-N
XLogP3.16
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(dimethylamino)-N-[3-(furan-2-ylmethoxy)propyl]pyridine-3-carboxamide
CID 87038703
6-fluoro-N-[3-(furan-2-ylmethoxy)propyl]pyridine-2-carboxamide
CID 115497634
2,6-dichloro-N-[3-(furan-2-ylmethoxy)propyl]pyridine-4-carboxamide
CID 60706210
N-[3-(furan-2-ylmethoxy)propyl]-2-(methanesulfonamido)benzamide
CID 51296855
N-[3-(furan-2-ylmethoxy)propyl]-N'-quinolin-6-yloxamide
CID 86996645
5-amino-N-[3-(furan-2-ylmethoxy)propyl]-1-methylpyrazole-4-carboxamide
CID 75397489
N-[2-(4-methoxyphenoxy)ethyl]quinoline-8-carboxamide
CID 51232751
6-chloro-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]quinoline-8-carboxamide
CID 55912973
3-amino-N-[3-(furan-2-ylmethoxy)propyl]benzamide
CID 61275519
3-amino-N-[3-(furan-2-ylmethoxy)propyl]-1H-1,2,4-triazole-5-carboxamide
CID 55115340
7-bromo-N-[3-(furan-2-ylmethoxy)propyl]-1-benzofuran-2-carboxamide
CID 86989821
1-(furan-2-ylmethyl)-3-(2-quinolin-8-yloxyethyl)urea
CID 112975963

Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-ylmethoxy)propyl]quinoline-8-carboxamide?
The IUPAC name of N-[3-(furan-2-ylmethoxy)propyl]quinoline-8-carboxamide (CID 51296890) is N-[3-(furan-2-ylmethoxy)propyl]quinoline-8-carboxamide.
What is the SMILES notation for N-[3-(furan-2-ylmethoxy)propyl]quinoline-8-carboxamide?
The canonical SMILES for N-[3-(furan-2-ylmethoxy)propyl]quinoline-8-carboxamide is O=C(NCCCOCc1ccco1)c1cccc2cccnc12.
What is the InChIKey of N-[3-(furan-2-ylmethoxy)propyl]quinoline-8-carboxamide?
The InChIKey is OZNRRFINPUKOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c21-18(16-8-1-5-14-6-2-9-19-17(14)16)20-10-4-11-22-13-15-7-3-12-23-15/h1-3,5-9,12H,4,10-11,13H2,(H,20,21).
What are the key properties of N-[3-(furan-2-ylmethoxy)propyl]quinoline-8-carboxamide?
N-[3-(furan-2-ylmethoxy)propyl]quinoline-8-carboxamide has a molecular weight of 310.35 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-ylmethoxy)propyl]quinoline-8-carboxamide is sourced from PubChem (CID 51296890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).