4-(4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carbonyl)-N-(2-hydroxyphenyl)benzamide

C26H24FN5O3 — CID 54170243

IUPAC4-(4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carbonyl)-N-(2-hydroxyphenyl)benzamide
SMILESNC1=NC2(CCN(C(=O)c3ccc(C(=O)Nc4ccccc4O)cc3)CC2)Nc2cccc(F)c21
InChIInChI=1S/C26H24FN5O3/c27-18-4-3-6-20-22(18)23(28)31-26(30-20)12-14-32(15-13-26)25(35)17-10-8-16(9-11-17)24(34)29-19-5-1-2-7-21(19)33/h1-11,30,33H,12-15H2,(H2,28,31)(H,29,34)
InChIKeyOUMYDVQUVDWLQO-UHFFFAOYSA-N
MW473.51 g/mol
LogP3.55
Rot. Bonds3

About 4-(4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carbonyl)-N-(2-hydroxyphenyl)benzamide

4-(4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carbonyl)-N-(2-hydroxyphenyl)benzamide (PubChem CID 54170243) has the molecular formula C26H24FN5O3 and a molecular weight of 473.51 g/mol. Its IUPAC name is 4-(4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carbonyl)-N-(2-hydroxyphenyl)benzamide.

Molecular Properties

Compound Name4-(4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carbonyl)-N-(2-hydroxyphenyl)benzamide
PubChem CID54170243
Molecular FormulaC26H24FN5O3
Molecular Weight473.51 g/mol
Exact Mass473.19
IUPAC Name4-(4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carbonyl)-N-(2-hydroxyphenyl)benzamide
SMILESNC1=NC2(CCN(C(=O)c3ccc(C(=O)Nc4ccccc4O)cc3)CC2)Nc2cccc(F)c21
InChIInChI=1S/C26H24FN5O3/c27-18-4-3-6-20-22(18)23(28)31-26(30-20)12-14-32(15-13-26)25(35)17-10-8-16(9-11-17)24(34)29-19-5-1-2-7-21(19)33/h1-11,30,33H,12-15H2,(H2,28,31)(H,29,34)
InChIKeyOUMYDVQUVDWLQO-UHFFFAOYSA-N
XLogP3.55
TPSA120.05 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.51
LogP ≤ 53.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

(4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(3,4-dichlorophenyl)methanone
CID 21192876
(4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(1,3-benzodioxol-5-yl)methanone
CID 21192818
4-(4-amino-5-hydroxyspiro[1H-quinazoline-2,4'-piperidine]-1'-carbonyl)benzonitrile
CID 135845139
S-ethyl 4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carbothioate;hydrochloride
CID 142634783
(4-aminospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(4-hydroxyphenyl)methanone
CID 21192745
cyclobutyl 4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate
CID 54165508
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
2-phenylsulfanylethyl 4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate;hydrochloride
CID 67569240
4-(4-aminospiro[1H-quinazoline-2,4'-piperidine]-1'-carbonyl)benzenesulfonamide
CID 21192867
2-methylsulfanylethyl 4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate;hydrochloride
CID 67569242
(4-amino-3',5-difluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(4-chlorophenyl)methanone
CID 10293799

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carbonyl)-N-(2-hydroxyphenyl)benzamide?
The IUPAC name of 4-(4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carbonyl)-N-(2-hydroxyphenyl)benzamide (CID 54170243) is 4-(4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carbonyl)-N-(2-hydroxyphenyl)benzamide.
What is the SMILES notation for 4-(4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carbonyl)-N-(2-hydroxyphenyl)benzamide?
The canonical SMILES for 4-(4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carbonyl)-N-(2-hydroxyphenyl)benzamide is NC1=NC2(CCN(C(=O)c3ccc(C(=O)Nc4ccccc4O)cc3)CC2)Nc2cccc(F)c21.
What is the InChIKey of 4-(4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carbonyl)-N-(2-hydroxyphenyl)benzamide?
The InChIKey is OUMYDVQUVDWLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN5O3/c27-18-4-3-6-20-22(18)23(28)31-26(30-20)12-14-32(15-13-26)25(35)17-10-8-16(9-11-17)24(34)29-19-5-1-2-7-21(19)33/h1-11,30,33H,12-15H2,(H2,28,31)(H,29,34).
What are the key properties of 4-(4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carbonyl)-N-(2-hydroxyphenyl)benzamide?
4-(4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carbonyl)-N-(2-hydroxyphenyl)benzamide has a molecular weight of 473.51 g/mol, XLogP of 3.55, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carbonyl)-N-(2-hydroxyphenyl)benzamide is sourced from PubChem (CID 54170243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).