3-[(1R)-1-[[7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2,3-dihydro-1H-imidazo[1,2-a]quinazolin-5-ylidene]amino]ethyl]-5-(trifluoromethyl)aniline

C25H27F3N6 — CID 166476467

IUPAC3-[(1R)-1-[[7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2,3-dihydro-1H-imidazo[1,2-a]quinazolin-5-ylidene]amino]ethyl]-5-(trifluoromethyl)aniline
SMILESC[C@@H](/N=c1\nc2n(c3ccc(C4=CCN(C)CC4)cc13)CCN2)c1cc(N)cc(C(F)(F)F)c1
InChIInChI=1S/C25H27F3N6/c1-15(18-11-19(25(26,27)28)14-20(29)12-18)31-23-21-13-17(16-5-8-33(2)9-6-16)3-4-22(21)34-10-7-30-24(34)32-23/h3-5,11-15H,6-10,29H2,1-2H3,(H,30,31,32)/t15-/m1/s1
InChIKeyGDXRSYXCWVRIEZ-OAHLLOKOSA-N
MW468.53 g/mol
LogP4.44
Rot. Bonds3

About 3-[(1R)-1-[[7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2,3-dihydro-1H-imidazo[1,2-a]quinazolin-5-ylidene]amino]ethyl]-5-(trifluoromethyl)aniline

3-[(1R)-1-[[7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2,3-dihydro-1H-imidazo[1,2-a]quinazolin-5-ylidene]amino]ethyl]-5-(trifluoromethyl)aniline (PubChem CID 166476467) has the molecular formula C25H27F3N6 and a molecular weight of 468.53 g/mol. Its IUPAC name is 3-[(1R)-1-[[7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2,3-dihydro-1H-imidazo[1,2-a]quinazolin-5-ylidene]amino]ethyl]-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name3-[(1R)-1-[[7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2,3-dihydro-1H-imidazo[1,2-a]quinazolin-5-ylidene]amino]ethyl]-5-(trifluoromethyl)aniline
PubChem CID166476467
Molecular FormulaC25H27F3N6
Molecular Weight468.53 g/mol
Exact Mass468.22
IUPAC Name3-[(1R)-1-[[7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2,3-dihydro-1H-imidazo[1,2-a]quinazolin-5-ylidene]amino]ethyl]-5-(trifluoromethyl)aniline
SMILESC[C@@H](/N=c1\nc2n(c3ccc(C4=CCN(C)CC4)cc13)CCN2)c1cc(N)cc(C(F)(F)F)c1
InChIInChI=1S/C25H27F3N6/c1-15(18-11-19(25(26,27)28)14-20(29)12-18)31-23-21-13-17(16-5-8-33(2)9-6-16)3-4-22(21)34-10-7-30-24(34)32-23/h3-5,11-15H,6-10,29H2,1-2H3,(H,30,31,32)/t15-/m1/s1
InChIKeyGDXRSYXCWVRIEZ-OAHLLOKOSA-N
XLogP4.44
TPSA71.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.53
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-benzyl-2-(4,5-dihydro-1H-imidazol-2-yl)-1-methyl-2,3-dihydroindole
CID 13869695
(S)-4-(3-(methylamino)pyrrolidin-1-yl)-1-(o-tolyl)-7-(trifluoromethyl)-quinazolin-2(1H)-one
CID 150613022
(S)-4-(pyrrolidin-3-ylamino)-1-(o-tolyl)-7-(trifluoromethyl)quinazolin-2(1H)-one
CID 153608784
7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-2,3-dihydro-1H-imidazo[1,2-a]quinazolin-5-imine
CID 166476428
7-(3,6-dihydro-2H-pyran-4-yl)-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-2,3-dihydro-1H-imidazo[1,2-a]quinazolin-5-imine
CID 166476453
3-[(1R)-1-[[7-(3,6-dihydro-2H-pyran-4-yl)-2,3-dihydro-1H-imidazo[1,2-a]quinazolin-5-ylidene]amino]ethyl]-5-(trifluoromethyl)aniline
CID 166476561
(3R,4aR,7S)-3-phenyl-7-[2-[3-(2,4,6-trimethylanilino)phenyl]ethyl]-3,4,4a,5,6,7-hexahydropyrrolo[1,2-c]pyrimidin-1-amine;hydrochloride
CID 76328782
(3aS,4R,9bS)-N,N'-dibenzyl-4-heptyl-8-(trifluoromethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinoline-1-carboximidamide
CID 135026545
9-(4-Methylpiperazin-1-yl)-5-(trifluoromethyl)-1,8-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-2(7),3,5,8,10,12,14(17)-heptaene
CID 13823292
1-ethyl-5-phenyl-7-(trifluoromethyl)-3,5-dihydro-2H-imidazo[2,1-b]quinazoline
CID 20381954
1-(3'-Trifluoromethylphenyl)-2-imino-3-(2',6'-dimethylphenyl)-4-methyl-imidazolidine
CID 20512447
1-(2',6'-Dimethylphenyl)-2-imino-3-(3'-trifluoromethylphenyl)-4-methyl-imidazolidine
CID 20512459

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-[[7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2,3-dihydro-1H-imidazo[1,2-a]quinazolin-5-ylidene]amino]ethyl]-5-(trifluoromethyl)aniline?
The IUPAC name of 3-[(1R)-1-[[7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2,3-dihydro-1H-imidazo[1,2-a]quinazolin-5-ylidene]amino]ethyl]-5-(trifluoromethyl)aniline (CID 166476467) is 3-[(1R)-1-[[7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2,3-dihydro-1H-imidazo[1,2-a]quinazolin-5-ylidene]amino]ethyl]-5-(trifluoromethyl)aniline.
What is the SMILES notation for 3-[(1R)-1-[[7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2,3-dihydro-1H-imidazo[1,2-a]quinazolin-5-ylidene]amino]ethyl]-5-(trifluoromethyl)aniline?
The canonical SMILES for 3-[(1R)-1-[[7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2,3-dihydro-1H-imidazo[1,2-a]quinazolin-5-ylidene]amino]ethyl]-5-(trifluoromethyl)aniline is C[C@@H](/N=c1\nc2n(c3ccc(C4=CCN(C)CC4)cc13)CCN2)c1cc(N)cc(C(F)(F)F)c1.
What is the InChIKey of 3-[(1R)-1-[[7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2,3-dihydro-1H-imidazo[1,2-a]quinazolin-5-ylidene]amino]ethyl]-5-(trifluoromethyl)aniline?
The InChIKey is GDXRSYXCWVRIEZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C25H27F3N6/c1-15(18-11-19(25(26,27)28)14-20(29)12-18)31-23-21-13-17(16-5-8-33(2)9-6-16)3-4-22(21)34-10-7-30-24(34)32-23/h3-5,11-15H,6-10,29H2,1-2H3,(H,30,31,32)/t15-/m1/s1.
What are the key properties of 3-[(1R)-1-[[7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2,3-dihydro-1H-imidazo[1,2-a]quinazolin-5-ylidene]amino]ethyl]-5-(trifluoromethyl)aniline?
3-[(1R)-1-[[7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2,3-dihydro-1H-imidazo[1,2-a]quinazolin-5-ylidene]amino]ethyl]-5-(trifluoromethyl)aniline has a molecular weight of 468.53 g/mol, XLogP of 4.44, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-[[7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2,3-dihydro-1H-imidazo[1,2-a]quinazolin-5-ylidene]amino]ethyl]-5-(trifluoromethyl)aniline is sourced from PubChem (CID 166476467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).