1-(furan-2-ylmethyl)-3-(2-quinolin-8-yloxyethyl)urea

C17H17N3O3 — CID 112975963

IUPAC1-(furan-2-ylmethyl)-3-(2-quinolin-8-yloxyethyl)urea
SMILESO=C(NCCOc1cccc2cccnc12)NCc1ccco1
InChIInChI=1S/C17H17N3O3/c21-17(20-12-14-6-3-10-22-14)19-9-11-23-15-7-1-4-13-5-2-8-18-16(13)15/h1-8,10H,9,11-12H2,(H2,19,20,21)
InChIKeySMYPFPJDFXNGDL-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.71
Rot. Bonds6

About 1-(furan-2-ylmethyl)-3-(2-quinolin-8-yloxyethyl)urea

1-(furan-2-ylmethyl)-3-(2-quinolin-8-yloxyethyl)urea (PubChem CID 112975963) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-3-(2-quinolin-8-yloxyethyl)urea.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-3-(2-quinolin-8-yloxyethyl)urea
PubChem CID112975963
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name1-(furan-2-ylmethyl)-3-(2-quinolin-8-yloxyethyl)urea
SMILESO=C(NCCOc1cccc2cccnc12)NCc1ccco1
InChIInChI=1S/C17H17N3O3/c21-17(20-12-14-6-3-10-22-14)19-9-11-23-15-7-1-4-13-5-2-8-18-16(13)15/h1-8,10H,9,11-12H2,(H2,19,20,21)
InChIKeySMYPFPJDFXNGDL-UHFFFAOYSA-N
XLogP2.71
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-chlorophenyl)methyl]-3-(2-quinolin-8-yloxyethyl)urea
CID 112975973
1-butyl-3-(2-quinolin-8-yloxyethyl)urea
CID 112975943
N-(furan-2-ylmethyl)-2-quinolin-8-yloxypropanamide
CID 4781245
1-[2-(dimethylamino)ethyl]-3-(2-quinolin-8-yloxyethyl)urea
CID 112975956
1-[3-(dimethylamino)propyl]-3-(2-quinolin-8-yloxyethyl)urea
CID 112975958
1-(furan-2-ylmethyl)-3-(2-phenoxyethyl)urea
CID 47125764
1-[2-(2-methoxyphenyl)ethyl]-3-(2-quinolin-8-yloxyethyl)urea
CID 112975985
1-(furan-2-ylmethyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883809
1-[2-(3-bromophenoxy)ethyl]-3-(furan-2-ylmethyl)urea
CID 47322764
1-(2-ethylphenyl)-3-(2-quinolin-8-yloxyethyl)urea
CID 112976035
N-[2-(furan-2-yl)ethyl]-5-(quinolin-8-yloxymethyl)-1,2-oxazole-3-carboxamide
CID 42382062
1-[2-(3,5-dimethylphenoxy)ethyl]-3-(furan-2-ylmethyl)urea
CID 112973955

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-3-(2-quinolin-8-yloxyethyl)urea?
The IUPAC name of 1-(furan-2-ylmethyl)-3-(2-quinolin-8-yloxyethyl)urea (CID 112975963) is 1-(furan-2-ylmethyl)-3-(2-quinolin-8-yloxyethyl)urea.
What is the SMILES notation for 1-(furan-2-ylmethyl)-3-(2-quinolin-8-yloxyethyl)urea?
The canonical SMILES for 1-(furan-2-ylmethyl)-3-(2-quinolin-8-yloxyethyl)urea is O=C(NCCOc1cccc2cccnc12)NCc1ccco1.
What is the InChIKey of 1-(furan-2-ylmethyl)-3-(2-quinolin-8-yloxyethyl)urea?
The InChIKey is SMYPFPJDFXNGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c21-17(20-12-14-6-3-10-22-14)19-9-11-23-15-7-1-4-13-5-2-8-18-16(13)15/h1-8,10H,9,11-12H2,(H2,19,20,21).
What are the key properties of 1-(furan-2-ylmethyl)-3-(2-quinolin-8-yloxyethyl)urea?
1-(furan-2-ylmethyl)-3-(2-quinolin-8-yloxyethyl)urea has a molecular weight of 311.34 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-3-(2-quinolin-8-yloxyethyl)urea is sourced from PubChem (CID 112975963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).