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

C19H17ClF2N4O — CID 10293799

IUPAC(4-amino-3',5-difluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(4-chlorophenyl)methanone
SMILESNC1=NC2(CCN(C(=O)c3ccc(Cl)cc3)CC2F)Nc2cccc(F)c21
InChIInChI=1S/C19H17ClF2N4O/c20-12-6-4-11(5-7-12)18(27)26-9-8-19(15(22)10-26)24-14-3-1-2-13(21)16(14)17(23)25-19/h1-7,15,24H,8-10H2,(H2,23,25)
InChIKeyWEAYBJUZRVLXBK-UHFFFAOYSA-N
MW390.82 g/mol
LogP3.19
Rot. Bonds1

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

(4-amino-3',5-difluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(4-chlorophenyl)methanone (PubChem CID 10293799) has the molecular formula C19H17ClF2N4O and a molecular weight of 390.82 g/mol. Its IUPAC name is (4-amino-3',5-difluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(4-chlorophenyl)methanone.

Molecular Properties

Compound Name(4-amino-3',5-difluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(4-chlorophenyl)methanone
PubChem CID10293799
Molecular FormulaC19H17ClF2N4O
Molecular Weight390.82 g/mol
Exact Mass390.11
IUPAC Name(4-amino-3',5-difluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(4-chlorophenyl)methanone
SMILESNC1=NC2(CCN(C(=O)c3ccc(Cl)cc3)CC2F)Nc2cccc(F)c21
InChIInChI=1S/C19H17ClF2N4O/c20-12-6-4-11(5-7-12)18(27)26-9-8-19(15(22)10-26)24-14-3-1-2-13(21)16(14)17(23)25-19/h1-7,15,24H,8-10H2,(H2,23,25)
InChIKeyWEAYBJUZRVLXBK-UHFFFAOYSA-N
XLogP3.19
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.82
LogP ≤ 53.19
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)-(3,4-dichlorophenyl)methanone
CID 21192876
4-(4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carbonyl)-N-(2-hydroxyphenyl)benzamide
CID 54170243
(4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(1,3-benzodioxol-5-yl)methanone
CID 21192818
cyclobutyl 4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate
CID 54165508
4-[(2R,3'S)-4-amino-3',5,8-trifluorospiro[1H-quinoline-2,4'-piperidine]-1'-carbonyl]benzonitrile
CID 66551443
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)-(5-ethylthiophen-2-yl)methanone
CID 21192806
4-(4-amino-5-hydroxyspiro[1H-quinazoline-2,4'-piperidine]-1'-carbonyl)benzonitrile
CID 135845139
2-methylsulfanylethyl 4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate;hydrochloride
CID 67569242
(3-aminopyrrolidin-1-yl)-(4-chlorophenyl)methanone
CID 59657899
5-chloro-1'-(4-fluorobenzoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 46077796
3-methylsulfonylpropyl 4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carboxylate
CID 21192853

Frequently Asked Questions

What is the IUPAC name of (4-amino-3',5-difluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(4-chlorophenyl)methanone?
The IUPAC name of (4-amino-3',5-difluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(4-chlorophenyl)methanone (CID 10293799) is (4-amino-3',5-difluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(4-chlorophenyl)methanone.
What is the SMILES notation for (4-amino-3',5-difluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(4-chlorophenyl)methanone?
The canonical SMILES for (4-amino-3',5-difluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(4-chlorophenyl)methanone is NC1=NC2(CCN(C(=O)c3ccc(Cl)cc3)CC2F)Nc2cccc(F)c21.
What is the InChIKey of (4-amino-3',5-difluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(4-chlorophenyl)methanone?
The InChIKey is WEAYBJUZRVLXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF2N4O/c20-12-6-4-11(5-7-12)18(27)26-9-8-19(15(22)10-26)24-14-3-1-2-13(21)16(14)17(23)25-19/h1-7,15,24H,8-10H2,(H2,23,25).
What are the key properties of (4-amino-3',5-difluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(4-chlorophenyl)methanone?
(4-amino-3',5-difluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(4-chlorophenyl)methanone has a molecular weight of 390.82 g/mol, XLogP of 3.19, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3',5-difluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(4-chlorophenyl)methanone is sourced from PubChem (CID 10293799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).