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Home > Other Heterocycles > 438621-93-3
438621-93-3 | 1'-methyl-1'H-spiro[piperidine-4,2'-quinazolin]-4'(3'H)-one
CAS No: 438621-93-3 Catalog No: AG00I8D2 MDL No:MFCD02929845
Product Description
Catalog Number:
AG00I8D2
Chemical Name:
1'-methyl-1'H-spiro[piperidine-4,2'-quinazolin]-4'(3'H)-one
CAS Number:
438621-93-3
Molecular Formula:
C13H17N3O
Molecular Weight:
231.2936
MDL Number:
MFCD02929845
IUPAC Name:
1-methylspiro[3H-quinazoline-2,4'-piperidine]-4-one
InChI:
InChI=1S/C13H17N3O/c1-16-11-5-3-2-4-10(11)12(17)15-13(16)6-8-14-9-7-13/h2-5,14H,6-9H2,1H3,(H,15,17)
InChI Key:
HELAPIIBUJVKGM-UHFFFAOYSA-N
SMILES:
CN1c2ccccc2C(=O)NC21CCNCC2
NSC Number:
665284
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.137g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
231.299g/mol
Monoisotopic Mass:
231.137g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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