6-methyl-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one

C21H22F3N3O — CID 42875623

IUPAC6-methyl-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
SMILESCc1ccc2c(c1)C(=O)NC1(CCN(Cc3ccc(C(F)(F)F)cc3)CC1)N2
InChIInChI=1S/C21H22F3N3O/c1-14-2-7-18-17(12-14)19(28)26-20(25-18)8-10-27(11-9-20)13-15-3-5-16(6-4-15)21(22,23)24/h2-7,12,25H,8-11,13H2,1H3,(H,26,28)
InChIKeyGNRJFTIYRCZDMR-UHFFFAOYSA-N
MW389.42 g/mol
LogP4.16
Rot. Bonds2

About 6-methyl-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one

6-methyl-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one (PubChem CID 42875623) has the molecular formula C21H22F3N3O and a molecular weight of 389.42 g/mol. Its IUPAC name is 6-methyl-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name6-methyl-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
PubChem CID42875623
Molecular FormulaC21H22F3N3O
Molecular Weight389.42 g/mol
Exact Mass389.17
IUPAC Name6-methyl-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
SMILESCc1ccc2c(c1)C(=O)NC1(CCN(Cc3ccc(C(F)(F)F)cc3)CC1)N2
InChIInChI=1S/C21H22F3N3O/c1-14-2-7-18-17(12-14)19(28)26-20(25-18)8-10-27(11-9-20)13-15-3-5-16(6-4-15)21(22,23)24/h2-7,12,25H,8-11,13H2,1H3,(H,26,28)
InChIKeyGNRJFTIYRCZDMR-UHFFFAOYSA-N
XLogP4.16
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1'-[(2,3-difluorophenyl)methyl]-6-methylspiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 46077929
1'-ethylsulfonyl-6-methylspiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 24716900
1'-[(3,4-dimethoxyphenyl)methyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one;hydrochloride
CID 171670041
4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol
CID 80702504
1'-(2,2-diphenylacetyl)-6-methylspiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 42875442
3-(1'-benzyl-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-6-yl)-N-hydroxyprop-2-enamide
CID 74975569
1'-benzyl-5-methylspiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 136577906
1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[3H-1,3-benzoxazine-2,3'-pyrrolidine]-4-one
CID 134793232
N,4-dimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
CID 115304018
3-(3-methylphenyl)-8-[(4-methylphenyl)methyl]-1,4,8-triazaspiro[4.5]dec-3-en-2-one
CID 20962387
7-chloro-1'-[(4-hydroxy-3-methoxyphenyl)methyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 42875609
3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 27247656

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one?
The IUPAC name of 6-methyl-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one (CID 42875623) is 6-methyl-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one.
What is the SMILES notation for 6-methyl-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one?
The canonical SMILES for 6-methyl-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one is Cc1ccc2c(c1)C(=O)NC1(CCN(Cc3ccc(C(F)(F)F)cc3)CC1)N2.
What is the InChIKey of 6-methyl-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one?
The InChIKey is GNRJFTIYRCZDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N3O/c1-14-2-7-18-17(12-14)19(28)26-20(25-18)8-10-27(11-9-20)13-15-3-5-16(6-4-15)21(22,23)24/h2-7,12,25H,8-11,13H2,1H3,(H,26,28).
What are the key properties of 6-methyl-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one?
6-methyl-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one has a molecular weight of 389.42 g/mol, XLogP of 4.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one is sourced from PubChem (CID 42875623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).