4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylic acid

C13H15FN4O2 — CID 57171080

IUPAC4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylic acid
SMILESNC1=NC2(CCN(C(=O)O)CC2)Nc2cccc(F)c21
InChIInChI=1S/C13H15FN4O2/c14-8-2-1-3-9-10(8)11(15)17-13(16-9)4-6-18(7-5-13)12(19)20/h1-3,16H,4-7H2,(H2,15,17)(H,19,20)
InChIKeyMGZQYLPBDWRLRS-UHFFFAOYSA-N
MW278.29 g/mol
LogP1.43
Rot. Bonds

About 4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylic acid

4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylic acid (PubChem CID 57171080) has the molecular formula C13H15FN4O2 and a molecular weight of 278.29 g/mol. Its IUPAC name is 4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylic acid.

Molecular Properties

Compound Name4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylic acid
PubChem CID57171080
Molecular FormulaC13H15FN4O2
Molecular Weight278.29 g/mol
Exact Mass278.12
IUPAC Name4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylic acid
SMILESNC1=NC2(CCN(C(=O)O)CC2)Nc2cccc(F)c21
InChIInChI=1S/C13H15FN4O2/c14-8-2-1-3-9-10(8)11(15)17-13(16-9)4-6-18(7-5-13)12(19)20/h1-3,16H,4-7H2,(H2,15,17)(H,19,20)
InChIKeyMGZQYLPBDWRLRS-UHFFFAOYSA-N
XLogP1.43
TPSA90.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.29
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-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

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylic acid?
The IUPAC name of 4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylic acid (CID 57171080) is 4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylic acid.
What is the SMILES notation for 4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylic acid?
The canonical SMILES for 4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylic acid is NC1=NC2(CCN(C(=O)O)CC2)Nc2cccc(F)c21.
What is the InChIKey of 4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylic acid?
The InChIKey is MGZQYLPBDWRLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O2/c14-8-2-1-3-9-10(8)11(15)17-13(16-9)4-6-18(7-5-13)12(19)20/h1-3,16H,4-7H2,(H2,15,17)(H,19,20).
What are the key properties of 4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylic acid?
4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylic acid has a molecular weight of 278.29 g/mol, XLogP of 1.43, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylic acid is sourced from PubChem (CID 57171080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).