5-(pyrazol-1-ylmethyl)-N-(2-quinolin-8-yloxyethyl)furan-2-carboxamide

C20H18N4O3 — CID 131940244

IUPAC5-(pyrazol-1-ylmethyl)-N-(2-quinolin-8-yloxyethyl)furan-2-carboxamide
SMILESO=C(NCCOc1cccc2cccnc12)c1ccc(Cn2cccn2)o1
InChIInChI=1S/C20H18N4O3/c25-20(18-8-7-16(27-18)14-24-12-3-10-23-24)22-11-13-26-17-6-1-4-15-5-2-9-21-19(15)17/h1-10,12H,11,13-14H2,(H,22,25)
InChIKeyXPPLEQQQYOMFIN-UHFFFAOYSA-N
MW362.39 g/mol
LogP2.88
Rot. Bonds7

About 5-(pyrazol-1-ylmethyl)-N-(2-quinolin-8-yloxyethyl)furan-2-carboxamide

5-(pyrazol-1-ylmethyl)-N-(2-quinolin-8-yloxyethyl)furan-2-carboxamide (PubChem CID 131940244) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is 5-(pyrazol-1-ylmethyl)-N-(2-quinolin-8-yloxyethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(pyrazol-1-ylmethyl)-N-(2-quinolin-8-yloxyethyl)furan-2-carboxamide
PubChem CID131940244
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC Name5-(pyrazol-1-ylmethyl)-N-(2-quinolin-8-yloxyethyl)furan-2-carboxamide
SMILESO=C(NCCOc1cccc2cccnc12)c1ccc(Cn2cccn2)o1
InChIInChI=1S/C20H18N4O3/c25-20(18-8-7-16(27-18)14-24-12-3-10-23-24)22-11-13-26-17-6-1-4-15-5-2-9-21-19(15)17/h1-10,12H,11,13-14H2,(H,22,25)
InChIKeyXPPLEQQQYOMFIN-UHFFFAOYSA-N
XLogP2.88
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 19463195
quinolin-8-ylmethyl 5-(pyrazol-1-ylmethyl)furan-2-carboxylate
CID 55646497
N-ethoxy-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 60756494
N-(4-hydroxypentyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 107300126
N-[(2-ethylpyrazol-3-yl)methyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 19294529
N-[(3S)-3-(furan-2-yl)-3-hydroxypropyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 95740980
1-butyl-3-(2-quinolin-8-yloxyethyl)urea
CID 112975943
N-(3-amino-2-hydroxy-3-oxopropyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 106166308
N-[(2-chlorophenyl)methyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 39854547
N-(2-hydroxypentyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 115700989
2,3,4-trifluoro-N-(2-quinolin-8-yloxyethyl)benzamide
CID 113102253
1-[(4-chlorophenyl)methyl]-3-(2-quinolin-8-yloxyethyl)urea
CID 112975973

Frequently Asked Questions

What is the IUPAC name of 5-(pyrazol-1-ylmethyl)-N-(2-quinolin-8-yloxyethyl)furan-2-carboxamide?
The IUPAC name of 5-(pyrazol-1-ylmethyl)-N-(2-quinolin-8-yloxyethyl)furan-2-carboxamide (CID 131940244) is 5-(pyrazol-1-ylmethyl)-N-(2-quinolin-8-yloxyethyl)furan-2-carboxamide.
What is the SMILES notation for 5-(pyrazol-1-ylmethyl)-N-(2-quinolin-8-yloxyethyl)furan-2-carboxamide?
The canonical SMILES for 5-(pyrazol-1-ylmethyl)-N-(2-quinolin-8-yloxyethyl)furan-2-carboxamide is O=C(NCCOc1cccc2cccnc12)c1ccc(Cn2cccn2)o1.
What is the InChIKey of 5-(pyrazol-1-ylmethyl)-N-(2-quinolin-8-yloxyethyl)furan-2-carboxamide?
The InChIKey is XPPLEQQQYOMFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3/c25-20(18-8-7-16(27-18)14-24-12-3-10-23-24)22-11-13-26-17-6-1-4-15-5-2-9-21-19(15)17/h1-10,12H,11,13-14H2,(H,22,25).
What are the key properties of 5-(pyrazol-1-ylmethyl)-N-(2-quinolin-8-yloxyethyl)furan-2-carboxamide?
5-(pyrazol-1-ylmethyl)-N-(2-quinolin-8-yloxyethyl)furan-2-carboxamide has a molecular weight of 362.39 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(pyrazol-1-ylmethyl)-N-(2-quinolin-8-yloxyethyl)furan-2-carboxamide is sourced from PubChem (CID 131940244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).