(4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-thiophen-3-ylmethanone

C17H17FN4OS — CID 11013353

IUPAC(4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-thiophen-3-ylmethanone
SMILESNC1=NC2(CCN(C(=O)c3ccsc3)CC2)Nc2cccc(F)c21
InChIInChI=1S/C17H17FN4OS/c18-12-2-1-3-13-14(12)15(19)21-17(20-13)5-7-22(8-6-17)16(23)11-4-9-24-10-11/h1-4,9-10,20H,5-8H2,(H2,19,21)
InChIKeyFHRCQQIVIJAXMW-UHFFFAOYSA-N
MW344.42 g/mol
LogP2.65
Rot. Bonds1

About (4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-thiophen-3-ylmethanone

(4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-thiophen-3-ylmethanone (PubChem CID 11013353) has the molecular formula C17H17FN4OS and a molecular weight of 344.42 g/mol. Its IUPAC name is (4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-thiophen-3-ylmethanone.

Molecular Properties

Compound Name(4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-thiophen-3-ylmethanone
PubChem CID11013353
Molecular FormulaC17H17FN4OS
Molecular Weight344.42 g/mol
Exact Mass344.11
IUPAC Name(4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-thiophen-3-ylmethanone
SMILESNC1=NC2(CCN(C(=O)c3ccsc3)CC2)Nc2cccc(F)c21
InChIInChI=1S/C17H17FN4OS/c18-12-2-1-3-13-14(12)15(19)21-17(20-13)5-7-22(8-6-17)16(23)11-4-9-24-10-11/h1-4,9-10,20H,5-8H2,(H2,19,21)
InChIKeyFHRCQQIVIJAXMW-UHFFFAOYSA-N
XLogP2.65
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-thiophen-3-ylmethanone?
The IUPAC name of (4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-thiophen-3-ylmethanone (CID 11013353) is (4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-thiophen-3-ylmethanone.
What is the SMILES notation for (4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-thiophen-3-ylmethanone?
The canonical SMILES for (4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-thiophen-3-ylmethanone is NC1=NC2(CCN(C(=O)c3ccsc3)CC2)Nc2cccc(F)c21.
What is the InChIKey of (4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-thiophen-3-ylmethanone?
The InChIKey is FHRCQQIVIJAXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4OS/c18-12-2-1-3-13-14(12)15(19)21-17(20-13)5-7-22(8-6-17)16(23)11-4-9-24-10-11/h1-4,9-10,20H,5-8H2,(H2,19,21).
What are the key properties of (4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-thiophen-3-ylmethanone?
(4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-thiophen-3-ylmethanone has a molecular weight of 344.42 g/mol, XLogP of 2.65, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-thiophen-3-ylmethanone is sourced from PubChem (CID 11013353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).