1-(6-fluoroquinazolin-4-yl)piperidine-4-carboxylic acid

C14H14FN3O2 — CID 71563722

IUPAC1-(6-fluoroquinazolin-4-yl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(c2ncnc3ccc(F)cc23)CC1
InChIInChI=1S/C14H14FN3O2/c15-10-1-2-12-11(7-10)13(17-8-16-12)18-5-3-9(4-6-18)14(19)20/h1-2,7-9H,3-6H2,(H,19,20)
InChIKeyQTEZRLNXLOSCLU-UHFFFAOYSA-N
MW275.28 g/mol
LogP2.07
Rot. Bonds2

About 1-(6-fluoroquinazolin-4-yl)piperidine-4-carboxylic acid

1-(6-fluoroquinazolin-4-yl)piperidine-4-carboxylic acid (PubChem CID 71563722) has the molecular formula C14H14FN3O2 and a molecular weight of 275.28 g/mol. Its IUPAC name is 1-(6-fluoroquinazolin-4-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(6-fluoroquinazolin-4-yl)piperidine-4-carboxylic acid
PubChem CID71563722
Molecular FormulaC14H14FN3O2
Molecular Weight275.28 g/mol
Exact Mass275.11
IUPAC Name1-(6-fluoroquinazolin-4-yl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(c2ncnc3ccc(F)cc23)CC1
InChIInChI=1S/C14H14FN3O2/c15-10-1-2-12-11(7-10)13(17-8-16-12)18-5-3-9(4-6-18)14(19)20/h1-2,7-9H,3-6H2,(H,19,20)
InChIKeyQTEZRLNXLOSCLU-UHFFFAOYSA-N
XLogP2.07
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-fluoro-4-[4-(fluoromethyl)piperidin-1-yl]quinazoline
CID 172882648
1-(6-fluoroquinazolin-4-yl)-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 133305498
1-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 133422015
6-fluoro-4-(4-pyridin-4-ylpiperidin-1-yl)quinazoline
CID 126810422
N-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide
CID 175650857
N-[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]-N-methylcyclobutanecarboxamide
CID 166606135
N-[1-(6-fluoroquinazolin-4-yl)piperidin-3-yl]-N-methylcyclopropanecarboxamide
CID 166603435
N-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]-N-methylpyridin-2-amine
CID 155976434
6-fluoro-4-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]quinazoline
CID 133300706
(5R)-2-(6-fluoroquinazolin-4-yl)-1,3,4,5-tetrahydro-2-benzazepin-5-ol
CID 97342141
3-[4-(6-fluoroquinazolin-4-yl)piperazin-1-yl]thiolane 1,1-dioxide
CID 133383491
N-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine
CID 126887875

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoroquinazolin-4-yl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(6-fluoroquinazolin-4-yl)piperidine-4-carboxylic acid (CID 71563722) is 1-(6-fluoroquinazolin-4-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(6-fluoroquinazolin-4-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(6-fluoroquinazolin-4-yl)piperidine-4-carboxylic acid is O=C(O)C1CCN(c2ncnc3ccc(F)cc23)CC1.
What is the InChIKey of 1-(6-fluoroquinazolin-4-yl)piperidine-4-carboxylic acid?
The InChIKey is QTEZRLNXLOSCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O2/c15-10-1-2-12-11(7-10)13(17-8-16-12)18-5-3-9(4-6-18)14(19)20/h1-2,7-9H,3-6H2,(H,19,20).
What are the key properties of 1-(6-fluoroquinazolin-4-yl)piperidine-4-carboxylic acid?
1-(6-fluoroquinazolin-4-yl)piperidine-4-carboxylic acid has a molecular weight of 275.28 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoroquinazolin-4-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 71563722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).