4-(4-amino-5,7-difluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carbonyl)benzonitrile

C20H17F2N5O — CID 21192859

IUPAC4-(4-amino-5,7-difluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carbonyl)benzonitrile
SMILESN#Cc1ccc(C(=O)N2CCC3(CC2)N=C(N)c2c(F)cc(F)cc2N3)cc1
InChIInChI=1S/C20H17F2N5O/c21-14-9-15(22)17-16(10-14)25-20(26-18(17)24)5-7-27(8-6-20)19(28)13-3-1-12(11-23)2-4-13/h1-4,9-10,25H,5-8H2,(H2,24,26)
InChIKeyZOOSQLBAMVUYMU-UHFFFAOYSA-N
MW381.39 g/mol
LogP2.60
Rot. Bonds1

About 4-(4-amino-5,7-difluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carbonyl)benzonitrile

4-(4-amino-5,7-difluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carbonyl)benzonitrile (PubChem CID 21192859) has the molecular formula C20H17F2N5O and a molecular weight of 381.39 g/mol. Its IUPAC name is 4-(4-amino-5,7-difluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carbonyl)benzonitrile.

Molecular Properties

Compound Name4-(4-amino-5,7-difluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carbonyl)benzonitrile
PubChem CID21192859
Molecular FormulaC20H17F2N5O
Molecular Weight381.39 g/mol
Exact Mass381.14
IUPAC Name4-(4-amino-5,7-difluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carbonyl)benzonitrile
SMILESN#Cc1ccc(C(=O)N2CCC3(CC2)N=C(N)c2c(F)cc(F)cc2N3)cc1
InChIInChI=1S/C20H17F2N5O/c21-14-9-15(22)17-16(10-14)25-20(26-18(17)24)5-7-27(8-6-20)19(28)13-3-1-12(11-23)2-4-13/h1-4,9-10,25H,5-8H2,(H2,24,26)
InChIKeyZOOSQLBAMVUYMU-UHFFFAOYSA-N
XLogP2.60
TPSA94.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-amino-5-hydroxyspiro[1H-quinazoline-2,4'-piperidine]-1'-carbonyl)benzonitrile
CID 135845139
ethyl 4-amino-5,7-difluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate;hydrochloride
CID 67568850
(4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(3,4-dichlorophenyl)methanone
CID 21192876
(4-aminospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(4-hydroxyphenyl)methanone
CID 21192745
4-(4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carbonyl)-N-(2-hydroxyphenyl)benzamide
CID 54170243
4-(4-aminospiro[1H-quinazoline-2,4'-piperidine]-1'-carbonyl)benzenesulfonamide
CID 21192867
(4-aminospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(4-methoxyphenyl)methanone;hydrochloride
CID 67568356
8-(4-fluorobenzoyl)-3-(4-fluorophenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
CID 20911545
4-[(2R,3'S)-4-amino-3',5,8-trifluorospiro[1H-quinoline-2,4'-piperidine]-1'-carbonyl]benzonitrile
CID 66551443
cyclobutyl 4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate
CID 54165508
3-fluoro-4-[4-(4-fluorobenzoyl)piperazin-1-yl]benzonitrile
CID 822324
cyclopentyl 4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate;hydrochloride
CID 139816082

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-5,7-difluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carbonyl)benzonitrile?
The IUPAC name of 4-(4-amino-5,7-difluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carbonyl)benzonitrile (CID 21192859) is 4-(4-amino-5,7-difluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carbonyl)benzonitrile.
What is the SMILES notation for 4-(4-amino-5,7-difluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carbonyl)benzonitrile?
The canonical SMILES for 4-(4-amino-5,7-difluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carbonyl)benzonitrile is N#Cc1ccc(C(=O)N2CCC3(CC2)N=C(N)c2c(F)cc(F)cc2N3)cc1.
What is the InChIKey of 4-(4-amino-5,7-difluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carbonyl)benzonitrile?
The InChIKey is ZOOSQLBAMVUYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N5O/c21-14-9-15(22)17-16(10-14)25-20(26-18(17)24)5-7-27(8-6-20)19(28)13-3-1-12(11-23)2-4-13/h1-4,9-10,25H,5-8H2,(H2,24,26).
What are the key properties of 4-(4-amino-5,7-difluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carbonyl)benzonitrile?
4-(4-amino-5,7-difluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carbonyl)benzonitrile has a molecular weight of 381.39 g/mol, XLogP of 2.60, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-5,7-difluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carbonyl)benzonitrile is sourced from PubChem (CID 21192859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).