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

C19H18ClFN4O — CID 21192741

IUPAC(4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(4-chlorophenyl)methanone
SMILESNC1=NC2(CCN(C(=O)c3ccc(Cl)cc3)CC2)Nc2cccc(F)c21
InChIInChI=1S/C19H18ClFN4O/c20-13-6-4-12(5-7-13)18(26)25-10-8-19(9-11-25)23-15-3-1-2-14(21)16(15)17(22)24-19/h1-7,23H,8-11H2,(H2,22,24)
InChIKeyQVSKLCBLEFIJIU-UHFFFAOYSA-N
MW372.83 g/mol
LogP3.24
Rot. Bonds1

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

(4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(4-chlorophenyl)methanone (PubChem CID 21192741) has the molecular formula C19H18ClFN4O and a molecular weight of 372.83 g/mol. Its IUPAC name is (4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(4-chlorophenyl)methanone.

Molecular Properties

Compound Name(4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(4-chlorophenyl)methanone
PubChem CID21192741
Molecular FormulaC19H18ClFN4O
Molecular Weight372.83 g/mol
Exact Mass372.12
IUPAC Name(4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(4-chlorophenyl)methanone
SMILESNC1=NC2(CCN(C(=O)c3ccc(Cl)cc3)CC2)Nc2cccc(F)c21
InChIInChI=1S/C19H18ClFN4O/c20-13-6-4-12(5-7-13)18(26)25-10-8-19(9-11-25)23-15-3-1-2-14(21)16(15)17(22)24-19/h1-7,23H,8-11H2,(H2,22,24)
InChIKeyQVSKLCBLEFIJIU-UHFFFAOYSA-N
XLogP3.24
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.83
LogP ≤ 53.24
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-chlorophenyl)methanone?
The IUPAC name of (4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(4-chlorophenyl)methanone (CID 21192741) is (4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(4-chlorophenyl)methanone.
What is the SMILES notation for (4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(4-chlorophenyl)methanone?
The canonical SMILES for (4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(4-chlorophenyl)methanone is NC1=NC2(CCN(C(=O)c3ccc(Cl)cc3)CC2)Nc2cccc(F)c21.
What is the InChIKey of (4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(4-chlorophenyl)methanone?
The InChIKey is QVSKLCBLEFIJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN4O/c20-13-6-4-12(5-7-13)18(26)25-10-8-19(9-11-25)23-15-3-1-2-14(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)-(4-chlorophenyl)methanone?
(4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(4-chlorophenyl)methanone has a molecular weight of 372.83 g/mol, XLogP of 3.24, 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)-(4-chlorophenyl)methanone is sourced from PubChem (CID 21192741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).