4-(furan-3-yl)-8-(trifluoromethyl)quinoline-3-carbaldehyde

C15H8F3NO2 — CID 121005011

IUPAC4-(furan-3-yl)-8-(trifluoromethyl)quinoline-3-carbaldehyde
SMILESO=Cc1cnc2c(C(F)(F)F)cccc2c1-c1ccoc1
InChIInChI=1S/C15H8F3NO2/c16-15(17,18)12-3-1-2-11-13(9-4-5-21-8-9)10(7-20)6-19-14(11)12/h1-8H
InChIKeyYKXGYKJRVYCNSR-UHFFFAOYSA-N
MW291.23 g/mol
LogP4.33
Rot. Bonds2

About 4-(furan-3-yl)-8-(trifluoromethyl)quinoline-3-carbaldehyde

4-(furan-3-yl)-8-(trifluoromethyl)quinoline-3-carbaldehyde (PubChem CID 121005011) has the molecular formula C15H8F3NO2 and a molecular weight of 291.23 g/mol. Its IUPAC name is 4-(furan-3-yl)-8-(trifluoromethyl)quinoline-3-carbaldehyde.

Molecular Properties

Compound Name4-(furan-3-yl)-8-(trifluoromethyl)quinoline-3-carbaldehyde
PubChem CID121005011
Molecular FormulaC15H8F3NO2
Molecular Weight291.23 g/mol
Exact Mass291.05
IUPAC Name4-(furan-3-yl)-8-(trifluoromethyl)quinoline-3-carbaldehyde
SMILESO=Cc1cnc2c(C(F)(F)F)cccc2c1-c1ccoc1
InChIInChI=1S/C15H8F3NO2/c16-15(17,18)12-3-1-2-11-13(9-4-5-21-8-9)10(7-20)6-19-14(11)12/h1-8H
InChIKeyYKXGYKJRVYCNSR-UHFFFAOYSA-N
XLogP4.33
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.23
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-Ethyl 8-methyl 4-[(2-furylmethyl)amino]-3,8-quinolinedicarboxylate
CID 1078123
Methyl 4-methoxy-8-(trifluoromethyl)-3-quinolinecarboxylate
CID 1512190
Ethyl 4-[(2-furylmethyl)amino]-8-methylquinoline-3-carboxylate
CID 702630
Ethyl 7-[[3-(trifluoromethyl)phenyl]methoxy]quinoline-3-carboxylate
CID 86296266
Ethyl 7-[[4-fluoro-3-(trifluoromethyl)phenyl]methoxy]quinoline-3-carboxylate
CID 86296270
Ethyl 7-[[3-fluoro-5-(trifluoromethyl)phenyl]methoxy]quinoline-3-carboxylate
CID 86296271
1-(7-((4-Fluorobenzyl)oxy)quinolin-3-yl)ethanone
CID 86301334
Furoquinoline
CID 66842489
7-(furan-2-yl)-6-quinolin-6-yl-4aH-1,8-naphthyridin-4-one
CID 155922268
2,2,2-Trifluoro-1-[2-(furan-2-yl)quinolin-3-yl]ethanone
CID 4431197
8-(Furan-3-yl)-5-nitroquinoline
CID 145967845
8-(Furan-2-yl)-5-nitroquinoline
CID 145970726

Frequently Asked Questions

What is the IUPAC name of 4-(furan-3-yl)-8-(trifluoromethyl)quinoline-3-carbaldehyde?
The IUPAC name of 4-(furan-3-yl)-8-(trifluoromethyl)quinoline-3-carbaldehyde (CID 121005011) is 4-(furan-3-yl)-8-(trifluoromethyl)quinoline-3-carbaldehyde.
What is the SMILES notation for 4-(furan-3-yl)-8-(trifluoromethyl)quinoline-3-carbaldehyde?
The canonical SMILES for 4-(furan-3-yl)-8-(trifluoromethyl)quinoline-3-carbaldehyde is O=Cc1cnc2c(C(F)(F)F)cccc2c1-c1ccoc1.
What is the InChIKey of 4-(furan-3-yl)-8-(trifluoromethyl)quinoline-3-carbaldehyde?
The InChIKey is YKXGYKJRVYCNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F3NO2/c16-15(17,18)12-3-1-2-11-13(9-4-5-21-8-9)10(7-20)6-19-14(11)12/h1-8H.
What are the key properties of 4-(furan-3-yl)-8-(trifluoromethyl)quinoline-3-carbaldehyde?
4-(furan-3-yl)-8-(trifluoromethyl)quinoline-3-carbaldehyde has a molecular weight of 291.23 g/mol, XLogP of 4.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-3-yl)-8-(trifluoromethyl)quinoline-3-carbaldehyde is sourced from PubChem (CID 121005011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).