4-[(2-methylquinolin-4-yl)methoxy]thiophene-2-carboxylic acid

C16H13NO3S — CID 79234546

IUPAC4-[(2-methylquinolin-4-yl)methoxy]thiophene-2-carboxylic acid
SMILESCc1cc(COc2csc(C(=O)O)c2)c2ccccc2n1
InChIInChI=1S/C16H13NO3S/c1-10-6-11(13-4-2-3-5-14(13)17-10)8-20-12-7-15(16(18)19)21-9-12/h2-7,9H,8H2,1H3,(H,18,19)
InChIKeyUDFOQEITKBBTTK-UHFFFAOYSA-N
MW299.35 g/mol
LogP3.88
Rot. Bonds4

About 4-[(2-methylquinolin-4-yl)methoxy]thiophene-2-carboxylic acid

4-[(2-methylquinolin-4-yl)methoxy]thiophene-2-carboxylic acid (PubChem CID 79234546) has the molecular formula C16H13NO3S and a molecular weight of 299.35 g/mol. Its IUPAC name is 4-[(2-methylquinolin-4-yl)methoxy]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[(2-methylquinolin-4-yl)methoxy]thiophene-2-carboxylic acid
PubChem CID79234546
Molecular FormulaC16H13NO3S
Molecular Weight299.35 g/mol
Exact Mass299.06
IUPAC Name4-[(2-methylquinolin-4-yl)methoxy]thiophene-2-carboxylic acid
SMILESCc1cc(COc2csc(C(=O)O)c2)c2ccccc2n1
InChIInChI=1S/C16H13NO3S/c1-10-6-11(13-4-2-3-5-14(13)17-10)8-20-12-7-15(16(18)19)21-9-12/h2-7,9H,8H2,1H3,(H,18,19)
InChIKeyUDFOQEITKBBTTK-UHFFFAOYSA-N
XLogP3.88
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(naphthalen-1-ylmethoxy)thiophene-2-carboxylic acid
CID 66436693
4-[(2-methylquinolin-4-yl)methoxy]benzoic acid
CID 22032775
4-[(2-methylquinolin-4-yl)methoxy]benzenesulfinic acid
CID 22032785
[4-[(2-methylquinolin-4-yl)methoxy]phenyl] pentanoate
CID 143099066
4-[(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)methoxy]thiophene-2-carboxylic acid
CID 66439315
2-(2-methylquinolin-4-yl)acetic acid
CID 79019861
[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methanamine
CID 22148915
3-[(2-methylquinolin-4-yl)methoxy]benzaldehyde
CID 78994185
1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxamide
CID 67562723
4-[(5-chloro-2-fluorophenyl)methoxy]thiophene-2-carboxylic acid
CID 103046291
4-(2,1-benzothiazol-3-yloxy)thiophene-2-carboxylic acid
CID 66436273
2-[[2-amino-2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]amino]-N-hydroxy-2-methylpropanamide
CID 22616989

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylquinolin-4-yl)methoxy]thiophene-2-carboxylic acid?
The IUPAC name of 4-[(2-methylquinolin-4-yl)methoxy]thiophene-2-carboxylic acid (CID 79234546) is 4-[(2-methylquinolin-4-yl)methoxy]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-[(2-methylquinolin-4-yl)methoxy]thiophene-2-carboxylic acid?
The canonical SMILES for 4-[(2-methylquinolin-4-yl)methoxy]thiophene-2-carboxylic acid is Cc1cc(COc2csc(C(=O)O)c2)c2ccccc2n1.
What is the InChIKey of 4-[(2-methylquinolin-4-yl)methoxy]thiophene-2-carboxylic acid?
The InChIKey is UDFOQEITKBBTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3S/c1-10-6-11(13-4-2-3-5-14(13)17-10)8-20-12-7-15(16(18)19)21-9-12/h2-7,9H,8H2,1H3,(H,18,19).
What are the key properties of 4-[(2-methylquinolin-4-yl)methoxy]thiophene-2-carboxylic acid?
4-[(2-methylquinolin-4-yl)methoxy]thiophene-2-carboxylic acid has a molecular weight of 299.35 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylquinolin-4-yl)methoxy]thiophene-2-carboxylic acid is sourced from PubChem (CID 79234546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).