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

C21H23FN4O — CID 21192746

IUPAC(4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(4-ethylphenyl)methanone
SMILESCCc1ccc(C(=O)N2CCC3(CC2)N=C(N)c2c(F)cccc2N3)cc1
InChIInChI=1S/C21H23FN4O/c1-2-14-6-8-15(9-7-14)20(27)26-12-10-21(11-13-26)24-17-5-3-4-16(22)18(17)19(23)25-21/h3-9,24H,2,10-13H2,1H3,(H2,23,25)
InChIKeyQHHPFGJIVBDRLM-UHFFFAOYSA-N
MW366.44 g/mol
LogP3.15
Rot. Bonds2

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

(4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(4-ethylphenyl)methanone (PubChem CID 21192746) has the molecular formula C21H23FN4O and a molecular weight of 366.44 g/mol. Its IUPAC name is (4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(4-ethylphenyl)methanone.

Molecular Properties

Compound Name(4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(4-ethylphenyl)methanone
PubChem CID21192746
Molecular FormulaC21H23FN4O
Molecular Weight366.44 g/mol
Exact Mass366.19
IUPAC Name(4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(4-ethylphenyl)methanone
SMILESCCc1ccc(C(=O)N2CCC3(CC2)N=C(N)c2c(F)cccc2N3)cc1
InChIInChI=1S/C21H23FN4O/c1-2-14-6-8-15(9-7-14)20(27)26-12-10-21(11-13-26)24-17-5-3-4-16(22)18(17)19(23)25-21/h3-9,24H,2,10-13H2,1H3,(H2,23,25)
InChIKeyQHHPFGJIVBDRLM-UHFFFAOYSA-N
XLogP3.15
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.15
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)-(4-ethylphenyl)methanone?
The IUPAC name of (4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(4-ethylphenyl)methanone (CID 21192746) is (4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(4-ethylphenyl)methanone.
What is the SMILES notation for (4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(4-ethylphenyl)methanone?
The canonical SMILES for (4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(4-ethylphenyl)methanone is CCc1ccc(C(=O)N2CCC3(CC2)N=C(N)c2c(F)cccc2N3)cc1.
What is the InChIKey of (4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(4-ethylphenyl)methanone?
The InChIKey is QHHPFGJIVBDRLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O/c1-2-14-6-8-15(9-7-14)20(27)26-12-10-21(11-13-26)24-17-5-3-4-16(22)18(17)19(23)25-21/h3-9,24H,2,10-13H2,1H3,(H2,23,25).
What are the key properties of (4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(4-ethylphenyl)methanone?
(4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(4-ethylphenyl)methanone has a molecular weight of 366.44 g/mol, XLogP of 3.15, 2 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)-(4-ethylphenyl)methanone is sourced from PubChem (CID 21192746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).