3-[(5-methylfuran-2-yl)methoxy]quinoline-4-carboxylic acid

C16H13NO4 — CID 79591735

IUPAC3-[(5-methylfuran-2-yl)methoxy]quinoline-4-carboxylic acid
SMILESCc1ccc(COc2cnc3ccccc3c2C(=O)O)o1
InChIInChI=1S/C16H13NO4/c1-10-6-7-11(21-10)9-20-14-8-17-13-5-3-2-4-12(13)15(14)16(18)19/h2-8H,9H2,1H3,(H,18,19)
InChIKeyHMPSGWQSRYPSSA-UHFFFAOYSA-N
MW283.28 g/mol
LogP3.41
Rot. Bonds4

About 3-[(5-methylfuran-2-yl)methoxy]quinoline-4-carboxylic acid

3-[(5-methylfuran-2-yl)methoxy]quinoline-4-carboxylic acid (PubChem CID 79591735) has the molecular formula C16H13NO4 and a molecular weight of 283.28 g/mol. Its IUPAC name is 3-[(5-methylfuran-2-yl)methoxy]quinoline-4-carboxylic acid.

Molecular Properties

Compound Name3-[(5-methylfuran-2-yl)methoxy]quinoline-4-carboxylic acid
PubChem CID79591735
Molecular FormulaC16H13NO4
Molecular Weight283.28 g/mol
Exact Mass283.08
IUPAC Name3-[(5-methylfuran-2-yl)methoxy]quinoline-4-carboxylic acid
SMILESCc1ccc(COc2cnc3ccccc3c2C(=O)O)o1
InChIInChI=1S/C16H13NO4/c1-10-6-7-11(21-10)9-20-14-8-17-13-5-3-2-4-12(13)15(14)16(18)19/h2-8H,9H2,1H3,(H,18,19)
InChIKeyHMPSGWQSRYPSSA-UHFFFAOYSA-N
XLogP3.41
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(5-methylfuran-2-yl)methoxy]quinoline-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-pentoxyquinoline-4-carboxylic acid
CID 79593988
3-(3,3-dimethylbutoxy)quinoline-4-carboxylic acid
CID 79593820
3-(3-fluoropropoxy)quinoline-4-carboxylic acid
CID 81106756
3-(2-ethyl-2-hydroxybutoxy)quinoline-4-carboxylic acid
CID 114491348
3-butan-2-yloxyquinoline-4-carboxylic acid
CID 79594936
3-(3-ethoxy-2-hydroxypropoxy)quinoline-4-carboxylic acid
CID 79591696
2-[(5-methylfuran-2-yl)methoxy]phenol
CID 43143474
4-methyl-2-[(5-methylfuran-2-yl)methoxy]benzoic acid
CID 61379041
3-[1-(dimethylamino)-1-oxopropan-2-yl]oxyquinoline-4-carboxylic acid
CID 79591700
4-methoxy-2-[(5-methylfuran-2-yl)methoxy]benzoic acid
CID 61379364
3-chloroquinoline-4-carboxylic acid
CID 22158738
3-(1-ethylimidazol-2-yl)oxyquinoline-4-carboxylic acid
CID 79591959

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methylfuran-2-yl)methoxy]quinoline-4-carboxylic acid?
The IUPAC name of 3-[(5-methylfuran-2-yl)methoxy]quinoline-4-carboxylic acid (CID 79591735) is 3-[(5-methylfuran-2-yl)methoxy]quinoline-4-carboxylic acid.
What is the SMILES notation for 3-[(5-methylfuran-2-yl)methoxy]quinoline-4-carboxylic acid?
The canonical SMILES for 3-[(5-methylfuran-2-yl)methoxy]quinoline-4-carboxylic acid is Cc1ccc(COc2cnc3ccccc3c2C(=O)O)o1.
What is the InChIKey of 3-[(5-methylfuran-2-yl)methoxy]quinoline-4-carboxylic acid?
The InChIKey is HMPSGWQSRYPSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO4/c1-10-6-7-11(21-10)9-20-14-8-17-13-5-3-2-4-12(13)15(14)16(18)19/h2-8H,9H2,1H3,(H,18,19).
What are the key properties of 3-[(5-methylfuran-2-yl)methoxy]quinoline-4-carboxylic acid?
3-[(5-methylfuran-2-yl)methoxy]quinoline-4-carboxylic acid has a molecular weight of 283.28 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methylfuran-2-yl)methoxy]quinoline-4-carboxylic acid is sourced from PubChem (CID 79591735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).