1-(8-fluoro-7-methoxyquinazolin-4-yl)piperidine-4-carboxylic acid

C15H16FN3O3 — CID 122047355

IUPAC1-(8-fluoro-7-methoxyquinazolin-4-yl)piperidine-4-carboxylic acid
SMILESCOc1ccc2c(N3CCC(C(=O)O)CC3)ncnc2c1F
InChIInChI=1S/C15H16FN3O3/c1-22-11-3-2-10-13(12(11)16)17-8-18-14(10)19-6-4-9(5-7-19)15(20)21/h2-3,8-9H,4-7H2,1H3,(H,20,21)
InChIKeyPZACAAIYRCJNRI-UHFFFAOYSA-N
MW305.31 g/mol
LogP2.08
Rot. Bonds3

About 1-(8-fluoro-7-methoxyquinazolin-4-yl)piperidine-4-carboxylic acid

1-(8-fluoro-7-methoxyquinazolin-4-yl)piperidine-4-carboxylic acid (PubChem CID 122047355) has the molecular formula C15H16FN3O3 and a molecular weight of 305.31 g/mol. Its IUPAC name is 1-(8-fluoro-7-methoxyquinazolin-4-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(8-fluoro-7-methoxyquinazolin-4-yl)piperidine-4-carboxylic acid
PubChem CID122047355
Molecular FormulaC15H16FN3O3
Molecular Weight305.31 g/mol
Exact Mass305.12
IUPAC Name1-(8-fluoro-7-methoxyquinazolin-4-yl)piperidine-4-carboxylic acid
SMILESCOc1ccc2c(N3CCC(C(=O)O)CC3)ncnc2c1F
InChIInChI=1S/C15H16FN3O3/c1-22-11-3-2-10-13(12(11)16)17-8-18-14(10)19-6-4-9(5-7-19)15(20)21/h2-3,8-9H,4-7H2,1H3,(H,20,21)
InChIKeyPZACAAIYRCJNRI-UHFFFAOYSA-N
XLogP2.08
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(8-fluoro-7-methoxyquinazolin-4-yl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(8-fluoro-7-methoxyquinazolin-4-yl)piperidine-4-carboxylic acid (CID 122047355) is 1-(8-fluoro-7-methoxyquinazolin-4-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(8-fluoro-7-methoxyquinazolin-4-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(8-fluoro-7-methoxyquinazolin-4-yl)piperidine-4-carboxylic acid is COc1ccc2c(N3CCC(C(=O)O)CC3)ncnc2c1F.
What is the InChIKey of 1-(8-fluoro-7-methoxyquinazolin-4-yl)piperidine-4-carboxylic acid?
The InChIKey is PZACAAIYRCJNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O3/c1-22-11-3-2-10-13(12(11)16)17-8-18-14(10)19-6-4-9(5-7-19)15(20)21/h2-3,8-9H,4-7H2,1H3,(H,20,21).
What are the key properties of 1-(8-fluoro-7-methoxyquinazolin-4-yl)piperidine-4-carboxylic acid?
1-(8-fluoro-7-methoxyquinazolin-4-yl)piperidine-4-carboxylic acid has a molecular weight of 305.31 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-fluoro-7-methoxyquinazolin-4-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 122047355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).