5-fluoro-4-methoxyquinazoline-2-carboxylic acid

C10H7FN2O3 — CID 84788482

IUPAC5-fluoro-4-methoxyquinazoline-2-carboxylic acid
SMILESCOc1nc(C(=O)O)nc2cccc(F)c12
InChIInChI=1S/C10H7FN2O3/c1-16-9-7-5(11)3-2-4-6(7)12-8(13-9)10(14)15/h2-4H,1H3,(H,14,15)
InChIKeyVWINXFOBPPACAJ-UHFFFAOYSA-N
MW222.18 g/mol
LogP1.48
Rot. Bonds2

About 5-fluoro-4-methoxyquinazoline-2-carboxylic acid

5-fluoro-4-methoxyquinazoline-2-carboxylic acid (PubChem CID 84788482) has the molecular formula C10H7FN2O3 and a molecular weight of 222.18 g/mol. Its IUPAC name is 5-fluoro-4-methoxyquinazoline-2-carboxylic acid.

Molecular Properties

Compound Name5-fluoro-4-methoxyquinazoline-2-carboxylic acid
PubChem CID84788482
Molecular FormulaC10H7FN2O3
Molecular Weight222.18 g/mol
Exact Mass222.04
IUPAC Name5-fluoro-4-methoxyquinazoline-2-carboxylic acid
SMILESCOc1nc(C(=O)O)nc2cccc(F)c12
InChIInChI=1S/C10H7FN2O3/c1-16-9-7-5(11)3-2-4-6(7)12-8(13-9)10(14)15/h2-4H,1H3,(H,14,15)
InChIKeyVWINXFOBPPACAJ-UHFFFAOYSA-N
XLogP1.48
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.18
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-3-methoxyquinoxaline
CID 69493695
4-[2-(2-methoxyethoxy)ethoxy]quinazoline-2-carboxylic acid
CID 104560492
4-methylquinazoline-2-carboxylic acid
CID 84770673
4-fluoro-1-methoxyindazole-3-carboxylic acid
CID 67229837
7-fluoro-3-methoxyindazole-1-carboxylic acid
CID 150593885
3,4,5-trifluoro-2-methylquinoline
CID 54570448
4-(4,4,4-trifluorobutoxy)quinazoline-2-carboxylic acid
CID 82781639
4-[2-methoxyethyl(methyl)amino]quinazoline-2-carboxylic acid
CID 62406415
4-methoxy-5,6,7,8-tetrahydroquinazoline-2-carboxylic acid
CID 105461530
4,5-difluoro-2-methylquinazoline
CID 141141506
3-(5-methoxy-2-methylquinolin-4-yl)propanoic acid
CID 82577999
2-[5-fluoro-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]acetic acid
CID 67241137

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-methoxyquinazoline-2-carboxylic acid?
The IUPAC name of 5-fluoro-4-methoxyquinazoline-2-carboxylic acid (CID 84788482) is 5-fluoro-4-methoxyquinazoline-2-carboxylic acid.
What is the SMILES notation for 5-fluoro-4-methoxyquinazoline-2-carboxylic acid?
The canonical SMILES for 5-fluoro-4-methoxyquinazoline-2-carboxylic acid is COc1nc(C(=O)O)nc2cccc(F)c12.
What is the InChIKey of 5-fluoro-4-methoxyquinazoline-2-carboxylic acid?
The InChIKey is VWINXFOBPPACAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2O3/c1-16-9-7-5(11)3-2-4-6(7)12-8(13-9)10(14)15/h2-4H,1H3,(H,14,15).
What are the key properties of 5-fluoro-4-methoxyquinazoline-2-carboxylic acid?
5-fluoro-4-methoxyquinazoline-2-carboxylic acid has a molecular weight of 222.18 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-methoxyquinazoline-2-carboxylic acid is sourced from PubChem (CID 84788482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).