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

C19H17Cl2FN4O — CID 21192876

IUPAC(4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(3,4-dichlorophenyl)methanone
SMILESNC1=NC2(CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)Nc2cccc(F)c21
InChIInChI=1S/C19H17Cl2FN4O/c20-12-5-4-11(10-13(12)21)18(27)26-8-6-19(7-9-26)24-15-3-1-2-14(22)16(15)17(23)25-19/h1-5,10,24H,6-9H2,(H2,23,25)
InChIKeyVIMLGTXWXHFWLU-UHFFFAOYSA-N
MW407.28 g/mol
LogP3.90
Rot. Bonds1

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

(4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(3,4-dichlorophenyl)methanone (PubChem CID 21192876) has the molecular formula C19H17Cl2FN4O and a molecular weight of 407.28 g/mol. Its IUPAC name is (4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(3,4-dichlorophenyl)methanone.

Molecular Properties

Compound Name(4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(3,4-dichlorophenyl)methanone
PubChem CID21192876
Molecular FormulaC19H17Cl2FN4O
Molecular Weight407.28 g/mol
Exact Mass406.08
IUPAC Name(4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(3,4-dichlorophenyl)methanone
SMILESNC1=NC2(CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)Nc2cccc(F)c21
InChIInChI=1S/C19H17Cl2FN4O/c20-12-5-4-11(10-13(12)21)18(27)26-8-6-19(7-9-26)24-15-3-1-2-14(22)16(15)17(23)25-19/h1-5,10,24H,6-9H2,(H2,23,25)
InChIKeyVIMLGTXWXHFWLU-UHFFFAOYSA-N
XLogP3.90
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.28
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(1,3-benzodioxol-5-yl)methanone
CID 21192818
4-(4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carbonyl)-N-(2-hydroxyphenyl)benzamide
CID 54170243
(4-amino-3',5-difluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(4-chlorophenyl)methanone
CID 10293799
(4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(5-ethylthiophen-2-yl)methanone
CID 21192806
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
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-amino-5-chlorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-thiophen-2-ylmethanone;hydrochloride
CID 162309124
2-methylsulfanylethyl 4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate;hydrochloride
CID 67569242
(4-aminospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(4-hydroxyphenyl)methanone
CID 21192745

Frequently Asked Questions

What is the IUPAC name of (4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(3,4-dichlorophenyl)methanone?
The IUPAC name of (4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(3,4-dichlorophenyl)methanone (CID 21192876) is (4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(3,4-dichlorophenyl)methanone.
What is the SMILES notation for (4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(3,4-dichlorophenyl)methanone?
The canonical SMILES for (4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(3,4-dichlorophenyl)methanone is NC1=NC2(CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)Nc2cccc(F)c21.
What is the InChIKey of (4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(3,4-dichlorophenyl)methanone?
The InChIKey is VIMLGTXWXHFWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2FN4O/c20-12-5-4-11(10-13(12)21)18(27)26-8-6-19(7-9-26)24-15-3-1-2-14(22)16(15)17(23)25-19/h1-5,10,24H,6-9H2,(H2,23,25).
What are the key properties of (4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(3,4-dichlorophenyl)methanone?
(4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(3,4-dichlorophenyl)methanone has a molecular weight of 407.28 g/mol, XLogP of 3.90, 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)-(3,4-dichlorophenyl)methanone is sourced from PubChem (CID 21192876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).