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

C19H21FN4OS — CID 21192806

IUPAC(4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(5-ethylthiophen-2-yl)methanone
SMILESCCc1ccc(C(=O)N2CCC3(CC2)N=C(N)c2c(F)cccc2N3)s1
InChIInChI=1S/C19H21FN4OS/c1-2-12-6-7-15(26-12)18(25)24-10-8-19(9-11-24)22-14-5-3-4-13(20)16(14)17(21)23-19/h3-7,22H,2,8-11H2,1H3,(H2,21,23)
InChIKeyPSSXHJXRSQJUCU-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.21
Rot. Bonds2

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

(4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(5-ethylthiophen-2-yl)methanone (PubChem CID 21192806) has the molecular formula C19H21FN4OS and a molecular weight of 372.47 g/mol. Its IUPAC name is (4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(5-ethylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(5-ethylthiophen-2-yl)methanone
PubChem CID21192806
Molecular FormulaC19H21FN4OS
Molecular Weight372.47 g/mol
Exact Mass372.14
IUPAC Name(4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(5-ethylthiophen-2-yl)methanone
SMILESCCc1ccc(C(=O)N2CCC3(CC2)N=C(N)c2c(F)cccc2N3)s1
InChIInChI=1S/C19H21FN4OS/c1-2-12-6-7-15(26-12)18(25)24-10-8-19(9-11-24)22-14-5-3-4-13(20)16(14)17(21)23-19/h3-7,22H,2,8-11H2,1H3,(H2,21,23)
InChIKeyPSSXHJXRSQJUCU-UHFFFAOYSA-N
XLogP3.21
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

S-ethyl 4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carbothioate;hydrochloride
CID 142634783
(4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(1,3-benzodioxol-5-yl)methanone
CID 21192818
(4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(3,4-dichlorophenyl)methanone
CID 21192876
2-methylsulfanylethyl 4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate;hydrochloride
CID 67569242
3-methylsulfonylpropyl 4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate
CID 21192853
but-3-ynyl 4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate
CID 21192779
4-(4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carbonyl)-N-(2-hydroxyphenyl)benzamide
CID 54170243
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
2-(4-methyl-1,3-thiazol-5-yl)ethyl 4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate;hydrochloride
CID 67568299
2-phenylsulfanylethyl 4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate;hydrochloride
CID 67569240
ethyl 4-amino-5,7-difluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate;hydrochloride
CID 67568850

Frequently Asked Questions

What is the IUPAC name of (4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(5-ethylthiophen-2-yl)methanone?
The IUPAC name of (4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(5-ethylthiophen-2-yl)methanone (CID 21192806) is (4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(5-ethylthiophen-2-yl)methanone.
What is the SMILES notation for (4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(5-ethylthiophen-2-yl)methanone?
The canonical SMILES for (4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(5-ethylthiophen-2-yl)methanone is CCc1ccc(C(=O)N2CCC3(CC2)N=C(N)c2c(F)cccc2N3)s1.
What is the InChIKey of (4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(5-ethylthiophen-2-yl)methanone?
The InChIKey is PSSXHJXRSQJUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4OS/c1-2-12-6-7-15(26-12)18(25)24-10-8-19(9-11-24)22-14-5-3-4-13(20)16(14)17(21)23-19/h3-7,22H,2,8-11H2,1H3,(H2,21,23).
What are the key properties of (4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(5-ethylthiophen-2-yl)methanone?
(4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(5-ethylthiophen-2-yl)methanone has a molecular weight of 372.47 g/mol, XLogP of 3.21, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(5-ethylthiophen-2-yl)methanone is sourced from PubChem (CID 21192806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).