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

C20H19FN4O3 — CID 21192818

IUPAC(4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(1,3-benzodioxol-5-yl)methanone
SMILESNC1=NC2(CCN(C(=O)c3ccc4c(c3)OCO4)CC2)Nc2cccc(F)c21
InChIInChI=1S/C20H19FN4O3/c21-13-2-1-3-14-17(13)18(22)24-20(23-14)6-8-25(9-7-20)19(26)12-4-5-15-16(10-12)28-11-27-15/h1-5,10,23H,6-9,11H2,(H2,22,24)
InChIKeyXIWOHKSOWPQQKR-UHFFFAOYSA-N
MW382.40 g/mol
LogP2.32
Rot. Bonds1

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

(4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(1,3-benzodioxol-5-yl)methanone (PubChem CID 21192818) has the molecular formula C20H19FN4O3 and a molecular weight of 382.40 g/mol. Its IUPAC name is (4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(1,3-benzodioxol-5-yl)methanone.

Molecular Properties

Compound Name(4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(1,3-benzodioxol-5-yl)methanone
PubChem CID21192818
Molecular FormulaC20H19FN4O3
Molecular Weight382.40 g/mol
Exact Mass382.14
IUPAC Name(4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(1,3-benzodioxol-5-yl)methanone
SMILESNC1=NC2(CCN(C(=O)c3ccc4c(c3)OCO4)CC2)Nc2cccc(F)c21
InChIInChI=1S/C20H19FN4O3/c21-13-2-1-3-14-17(13)18(22)24-20(23-14)6-8-25(9-7-20)19(26)12-4-5-15-16(10-12)28-11-27-15/h1-5,10,23H,6-9,11H2,(H2,22,24)
InChIKeyXIWOHKSOWPQQKR-UHFFFAOYSA-N
XLogP2.32
TPSA89.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(1,3-benzodioxol-5-yl)methanone with MolForge

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Related Compounds

(4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(3,4-dichlorophenyl)methanone
CID 21192876
4-(4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carbonyl)-N-(2-hydroxyphenyl)benzamide
CID 54170243
S-ethyl 4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carbothioate;hydrochloride
CID 142634783
cyclobutyl 4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate
CID 54165508
2-methylsulfanylethyl 4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate;hydrochloride
CID 67569242
4-(4-amino-5-hydroxyspiro[1H-quinazoline-2,4'-piperidine]-1'-carbonyl)benzonitrile
CID 135845139
cyclopentyl 4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate;hydrochloride
CID 139816082
4-(4-amino-5,7-difluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carbonyl)benzonitrile
CID 21192859
(4-aminospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(4-hydroxyphenyl)methanone
CID 21192745
2-phenylsulfanylethyl 4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate;hydrochloride
CID 67569240
1,3-benzodioxol-5-yl-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 798083
1'-(1,3-benzodioxole-5-carbonyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 46169385

Frequently Asked Questions

What is the IUPAC name of (4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(1,3-benzodioxol-5-yl)methanone?
The IUPAC name of (4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(1,3-benzodioxol-5-yl)methanone (CID 21192818) is (4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(1,3-benzodioxol-5-yl)methanone.
What is the SMILES notation for (4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(1,3-benzodioxol-5-yl)methanone?
The canonical SMILES for (4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(1,3-benzodioxol-5-yl)methanone is NC1=NC2(CCN(C(=O)c3ccc4c(c3)OCO4)CC2)Nc2cccc(F)c21.
What is the InChIKey of (4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(1,3-benzodioxol-5-yl)methanone?
The InChIKey is XIWOHKSOWPQQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O3/c21-13-2-1-3-14-17(13)18(22)24-20(23-14)6-8-25(9-7-20)19(26)12-4-5-15-16(10-12)28-11-27-15/h1-5,10,23H,6-9,11H2,(H2,22,24).
What are the key properties of (4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(1,3-benzodioxol-5-yl)methanone?
(4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(1,3-benzodioxol-5-yl)methanone has a molecular weight of 382.40 g/mol, XLogP of 2.32, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(1,3-benzodioxol-5-yl)methanone is sourced from PubChem (CID 21192818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).