(4-amino-3'-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(4-methylphenyl)methanone

C20H21FN4O — CID 10291605

IUPAC(4-amino-3'-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCC3(N=C(N)c4ccccc4N3)C(F)C2)cc1
InChIInChI=1S/C20H21FN4O/c1-13-6-8-14(9-7-13)19(26)25-11-10-20(17(21)12-25)23-16-5-3-2-4-15(16)18(22)24-20/h2-9,17,23H,10-12H2,1H3,(H2,22,24)
InChIKeyDFZHKNZVLWXFJK-UHFFFAOYSA-N
MW352.41 g/mol
LogP2.71
Rot. Bonds1

About (4-amino-3'-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(4-methylphenyl)methanone

(4-amino-3'-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(4-methylphenyl)methanone (PubChem CID 10291605) has the molecular formula C20H21FN4O and a molecular weight of 352.41 g/mol. Its IUPAC name is (4-amino-3'-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(4-methylphenyl)methanone.

Molecular Properties

Compound Name(4-amino-3'-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(4-methylphenyl)methanone
PubChem CID10291605
Molecular FormulaC20H21FN4O
Molecular Weight352.41 g/mol
Exact Mass352.17
IUPAC Name(4-amino-3'-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCC3(N=C(N)c4ccccc4N3)C(F)C2)cc1
InChIInChI=1S/C20H21FN4O/c1-13-6-8-14(9-7-13)19(26)25-11-10-20(17(21)12-25)23-16-5-3-2-4-15(16)18(22)24-20/h2-9,17,23H,10-12H2,1H3,(H2,22,24)
InChIKeyDFZHKNZVLWXFJK-UHFFFAOYSA-N
XLogP2.71
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-amino-3'-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(4-methylphenyl)methanone?
The IUPAC name of (4-amino-3'-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(4-methylphenyl)methanone (CID 10291605) is (4-amino-3'-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(4-methylphenyl)methanone.
What is the SMILES notation for (4-amino-3'-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(4-methylphenyl)methanone?
The canonical SMILES for (4-amino-3'-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(4-methylphenyl)methanone is Cc1ccc(C(=O)N2CCC3(N=C(N)c4ccccc4N3)C(F)C2)cc1.
What is the InChIKey of (4-amino-3'-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(4-methylphenyl)methanone?
The InChIKey is DFZHKNZVLWXFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O/c1-13-6-8-14(9-7-13)19(26)25-11-10-20(17(21)12-25)23-16-5-3-2-4-15(16)18(22)24-20/h2-9,17,23H,10-12H2,1H3,(H2,22,24).
What are the key properties of (4-amino-3'-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(4-methylphenyl)methanone?
(4-amino-3'-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(4-methylphenyl)methanone has a molecular weight of 352.41 g/mol, XLogP of 2.71, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3'-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(4-methylphenyl)methanone is sourced from PubChem (CID 10291605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).