methyl 2-[4-(furan-2-yl)phenyl]quinoline-4-carboxylate

C21H15NO3 — CID 168525532

IUPACmethyl 2-[4-(furan-2-yl)phenyl]quinoline-4-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(-c3ccco3)cc2)nc2ccccc12
InChIInChI=1S/C21H15NO3/c1-24-21(23)17-13-19(22-18-6-3-2-5-16(17)18)14-8-10-15(11-9-14)20-7-4-12-25-20/h2-13H,1H3
InChIKeyGGSLRCQFRZAIJK-UHFFFAOYSA-N
MW329.36 g/mol
LogP4.95
Rot. Bonds3

About methyl 2-[4-(furan-2-yl)phenyl]quinoline-4-carboxylate

methyl 2-[4-(furan-2-yl)phenyl]quinoline-4-carboxylate (PubChem CID 168525532) has the molecular formula C21H15NO3 and a molecular weight of 329.36 g/mol. Its IUPAC name is methyl 2-[4-(furan-2-yl)phenyl]quinoline-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[4-(furan-2-yl)phenyl]quinoline-4-carboxylate
PubChem CID168525532
Molecular FormulaC21H15NO3
Molecular Weight329.36 g/mol
Exact Mass329.11
IUPAC Namemethyl 2-[4-(furan-2-yl)phenyl]quinoline-4-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(-c3ccco3)cc2)nc2ccccc12
InChIInChI=1S/C21H15NO3/c1-24-21(23)17-13-19(22-18-6-3-2-5-16(17)18)14-8-10-15(11-9-14)20-7-4-12-25-20/h2-13H,1H3
InChIKeyGGSLRCQFRZAIJK-UHFFFAOYSA-N
XLogP4.95
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(4-bromophenyl)quinoline-4-carboxylate
CID 874713
methyl 2-(4-propylphenyl)quinoline-4-carboxylate
CID 841962
2-[4-(furan-2-yl)phenyl]-6-methylquinoline-4-carboxylic acid
CID 168527201
methyl 2-(4-isocyanatophenyl)quinoline-4-carboxylate
CID 169352943
methyl 2-(4-azidophenyl)quinoline-4-carboxylate
CID 169325072
(5-methoxycarbonylfuran-2-yl)methyl 2-(furan-2-yl)quinoline-4-carboxylate
CID 2631168
[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 2369156
[(2S)-1-amino-1-oxopropan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 7395384
(2-anilino-2-oxoethyl) 2-(furan-2-yl)quinoline-4-carboxylate
CID 2353514
N-(3,5-dimethoxyphenyl)-2-(furan-2-yl)quinoline-4-carboxamide
CID 9096906
2-(4-methylphenoxy)ethyl 2-(furan-2-yl)quinoline-4-carboxylate
CID 7825231
N-tert-butyl-2-(furan-2-yl)quinoline-4-carboxamide
CID 3611196

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(furan-2-yl)phenyl]quinoline-4-carboxylate?
The IUPAC name of methyl 2-[4-(furan-2-yl)phenyl]quinoline-4-carboxylate (CID 168525532) is methyl 2-[4-(furan-2-yl)phenyl]quinoline-4-carboxylate.
What is the SMILES notation for methyl 2-[4-(furan-2-yl)phenyl]quinoline-4-carboxylate?
The canonical SMILES for methyl 2-[4-(furan-2-yl)phenyl]quinoline-4-carboxylate is COC(=O)c1cc(-c2ccc(-c3ccco3)cc2)nc2ccccc12.
What is the InChIKey of methyl 2-[4-(furan-2-yl)phenyl]quinoline-4-carboxylate?
The InChIKey is GGSLRCQFRZAIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO3/c1-24-21(23)17-13-19(22-18-6-3-2-5-16(17)18)14-8-10-15(11-9-14)20-7-4-12-25-20/h2-13H,1H3.
What are the key properties of methyl 2-[4-(furan-2-yl)phenyl]quinoline-4-carboxylate?
methyl 2-[4-(furan-2-yl)phenyl]quinoline-4-carboxylate has a molecular weight of 329.36 g/mol, XLogP of 4.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(furan-2-yl)phenyl]quinoline-4-carboxylate is sourced from PubChem (CID 168525532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).