2-[5-(4-methoxyphenyl)furan-2-yl]-6-methylquinoline-4-carboxylic acid

C22H17NO4 — CID 51368379

IUPAC2-[5-(4-methoxyphenyl)furan-2-yl]-6-methylquinoline-4-carboxylic acid
SMILESCOc1ccc(-c2ccc(-c3cc(C(=O)O)c4cc(C)ccc4n3)o2)cc1
InChIInChI=1S/C22H17NO4/c1-13-3-8-18-16(11-13)17(22(24)25)12-19(23-18)21-10-9-20(27-21)14-4-6-15(26-2)7-5-14/h3-12H,1-2H3,(H,24,25)
InChIKeyXCRGWECFJQVNEA-UHFFFAOYSA-N
MW359.38 g/mol
LogP5.18
Rot. Bonds4

About 2-[5-(4-methoxyphenyl)furan-2-yl]-6-methylquinoline-4-carboxylic acid

2-[5-(4-methoxyphenyl)furan-2-yl]-6-methylquinoline-4-carboxylic acid (PubChem CID 51368379) has the molecular formula C22H17NO4 and a molecular weight of 359.38 g/mol. Its IUPAC name is 2-[5-(4-methoxyphenyl)furan-2-yl]-6-methylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-[5-(4-methoxyphenyl)furan-2-yl]-6-methylquinoline-4-carboxylic acid
PubChem CID51368379
Molecular FormulaC22H17NO4
Molecular Weight359.38 g/mol
Exact Mass359.12
IUPAC Name2-[5-(4-methoxyphenyl)furan-2-yl]-6-methylquinoline-4-carboxylic acid
SMILESCOc1ccc(-c2ccc(-c3cc(C(=O)O)c4cc(C)ccc4n3)o2)cc1
InChIInChI=1S/C22H17NO4/c1-13-3-8-18-16(11-13)17(22(24)25)12-19(23-18)21-10-9-20(27-21)14-4-6-15(26-2)7-5-14/h3-12H,1-2H3,(H,24,25)
InChIKeyXCRGWECFJQVNEA-UHFFFAOYSA-N
XLogP5.18
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.38
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(4-fluorophenyl)furan-2-yl]-6-methylquinoline-4-carboxylic acid
CID 714202
6-methoxy-2-(5-methyl-1-benzofuran-2-yl)quinoline-4-carboxylic acid
CID 69110989
2-[4-(5-formylfuran-2-yl)phenyl]-6-methylquinoline-4-carboxylic acid
CID 169334559
2-(2,5-dimethoxyphenyl)-6-methylquinoline-4-carboxylic acid
CID 841838
2-[4-(furan-2-yl)phenyl]-6-methylquinoline-4-carboxylic acid
CID 168527201
2-(2,5-dimethylphenyl)-6-methoxyquinoline-4-carboxylic acid
CID 3263095
6-chloro-2-(4-methoxyphenyl)quinoline-4-carboxylic acid
CID 4277393
2-(3-fluoro-4-methoxyphenyl)-6-methylquinoline-4-carboxylic acid
CID 3492969
2-[5-(3-bromophenyl)furan-2-yl]-6-methylquinoline-4-carboxylate
CID 4093975
2-[5-(4-butylphenyl)furan-2-yl]-6-ethylquinoline-4-carboxylic acid
CID 167502276
[2-(4-methylphenyl)-2-oxoethyl] 2-(4-methoxyphenyl)-6-methylquinoline-4-carboxylate
CID 1217063
2-(4-acetamidophenyl)-N-(4-methoxyphenyl)-6-methylquinoline-4-carboxamide
CID 46375324

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-methoxyphenyl)furan-2-yl]-6-methylquinoline-4-carboxylic acid?
The IUPAC name of 2-[5-(4-methoxyphenyl)furan-2-yl]-6-methylquinoline-4-carboxylic acid (CID 51368379) is 2-[5-(4-methoxyphenyl)furan-2-yl]-6-methylquinoline-4-carboxylic acid.
What is the SMILES notation for 2-[5-(4-methoxyphenyl)furan-2-yl]-6-methylquinoline-4-carboxylic acid?
The canonical SMILES for 2-[5-(4-methoxyphenyl)furan-2-yl]-6-methylquinoline-4-carboxylic acid is COc1ccc(-c2ccc(-c3cc(C(=O)O)c4cc(C)ccc4n3)o2)cc1.
What is the InChIKey of 2-[5-(4-methoxyphenyl)furan-2-yl]-6-methylquinoline-4-carboxylic acid?
The InChIKey is XCRGWECFJQVNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO4/c1-13-3-8-18-16(11-13)17(22(24)25)12-19(23-18)21-10-9-20(27-21)14-4-6-15(26-2)7-5-14/h3-12H,1-2H3,(H,24,25).
What are the key properties of 2-[5-(4-methoxyphenyl)furan-2-yl]-6-methylquinoline-4-carboxylic acid?
2-[5-(4-methoxyphenyl)furan-2-yl]-6-methylquinoline-4-carboxylic acid has a molecular weight of 359.38 g/mol, XLogP of 5.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-methoxyphenyl)furan-2-yl]-6-methylquinoline-4-carboxylic acid is sourced from PubChem (CID 51368379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).