(4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(2-fluorophenyl)methanone

C19H18F2N4O — CID 21192736

IUPAC(4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(2-fluorophenyl)methanone
SMILESNC1=NC2(CCN(C(=O)c3ccccc3F)CC2)Nc2cccc(F)c21
InChIInChI=1S/C19H18F2N4O/c20-13-5-2-1-4-12(13)18(26)25-10-8-19(9-11-25)23-15-7-3-6-14(21)16(15)17(22)24-19/h1-7,23H,8-11H2,(H2,22,24)
InChIKeyILCKXLSZAQDUQA-UHFFFAOYSA-N
MW356.38 g/mol
LogP2.73
Rot. Bonds1

About (4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(2-fluorophenyl)methanone

(4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(2-fluorophenyl)methanone (PubChem CID 21192736) has the molecular formula C19H18F2N4O and a molecular weight of 356.38 g/mol. Its IUPAC name is (4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name(4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(2-fluorophenyl)methanone
PubChem CID21192736
Molecular FormulaC19H18F2N4O
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Name(4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(2-fluorophenyl)methanone
SMILESNC1=NC2(CCN(C(=O)c3ccccc3F)CC2)Nc2cccc(F)c21
InChIInChI=1S/C19H18F2N4O/c20-13-5-2-1-4-12(13)18(26)25-10-8-19(9-11-25)23-15-7-3-6-14(21)16(15)17(22)24-19/h1-7,23H,8-11H2,(H2,22,24)
InChIKeyILCKXLSZAQDUQA-UHFFFAOYSA-N
XLogP2.73
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(2-fluorophenyl)methanone?
The IUPAC name of (4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(2-fluorophenyl)methanone (CID 21192736) is (4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(2-fluorophenyl)methanone.
What is the SMILES notation for (4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(2-fluorophenyl)methanone?
The canonical SMILES for (4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(2-fluorophenyl)methanone is NC1=NC2(CCN(C(=O)c3ccccc3F)CC2)Nc2cccc(F)c21.
What is the InChIKey of (4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(2-fluorophenyl)methanone?
The InChIKey is ILCKXLSZAQDUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N4O/c20-13-5-2-1-4-12(13)18(26)25-10-8-19(9-11-25)23-15-7-3-6-14(21)16(15)17(22)24-19/h1-7,23H,8-11H2,(H2,22,24).
What are the key properties of (4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(2-fluorophenyl)methanone?
(4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(2-fluorophenyl)methanone has a molecular weight of 356.38 g/mol, XLogP of 2.73, 1 rotatable bonds, 2 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'-yl)-(2-fluorophenyl)methanone is sourced from PubChem (CID 21192736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).