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

C26H28F3N5 — CID 166476428

IUPAC7-(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
SMILESCc1c([C@@H](C)/N=c2\nc3n(c4ccc(C5=CCN(C)CC5)cc24)CCN3)cccc1C(F)(F)F
InChIInChI=1S/C26H28F3N5/c1-16-20(5-4-6-22(16)26(27,28)29)17(2)31-24-21-15-19(18-9-12-33(3)13-10-18)7-8-23(21)34-14-11-30-25(34)32-24/h4-9,15,17H,10-14H2,1-3H3,(H,30,31,32)/t17-/m1/s1
InChIKeyKNJWSMPNMGPEAT-QGZVFWFLSA-N
MW467.54 g/mol
LogP5.17
Rot. Bonds3

About 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

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 (PubChem CID 166476428) has the molecular formula C26H28F3N5 and a molecular weight of 467.54 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-(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
PubChem CID166476428
Molecular FormulaC26H28F3N5
Molecular Weight467.54 g/mol
Exact Mass467.23
IUPAC Name7-(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
SMILESCc1c([C@@H](C)/N=c2\nc3n(c4ccc(C5=CCN(C)CC5)cc24)CCN3)cccc1C(F)(F)F
InChIInChI=1S/C26H28F3N5/c1-16-20(5-4-6-22(16)26(27,28)29)17(2)31-24-21-15-19(18-9-12-33(3)13-10-18)7-8-23(21)34-14-11-30-25(34)32-24/h4-9,15,17H,10-14H2,1-3H3,(H,30,31,32)/t17-/m1/s1
InChIKeyKNJWSMPNMGPEAT-QGZVFWFLSA-N
XLogP5.17
TPSA45.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.54
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

N-[2-methyl-3-[3-(trifluoromethyl)phenyl]phenyl]-4,5-dihydro-1H-imidazol-2-amine
CID 44324572
(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-(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-(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
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
(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
1-ethyl-5-phenyl-7-(trifluoromethyl)-3,5-dihydro-2H-imidazo[2,1-b]quinazoline
CID 20381954
1-[7-(2,6-difluorophenyl)-9-fluoro-1,5-dihydro-[1,2,4]triazino[4,3-a][1,4]benzodiazepin-2-yl]-N,N'-di(propan-2-yl)methanediamine
CID 21431381
N'-[C-(2,6-dimethylphenyl)-N-(4-fluorophenyl)carbonimidoyl]-N-(3-fluorophenyl)-2-methylpiperidine-1-carboximidamide
CID 22388673
4-N,4-N-dimethyl-2-N-[4-[[2-(trifluoromethyl)phenyl]methylamino]cyclohexyl]-1,2-dihydroquinazoline-2,4-diamine
CID 57714673
2-N-[4-[(3-fluorophenyl)methylamino]cyclohexyl]-4-N,4-N-dimethyl-1,2-dihydroquinazoline-2,4-diamine
CID 57714750

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1c([C@@H](C)/N=c2\nc3n(c4ccc(C5=CCN(C)CC5)cc24)CCN3)cccc1C(F)(F)F.
What is the InChIKey of 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?
The InChIKey is KNJWSMPNMGPEAT-QGZVFWFLSA-N. The full InChI is InChI=1S/C26H28F3N5/c1-16-20(5-4-6-22(16)26(27,28)29)17(2)31-24-21-15-19(18-9-12-33(3)13-10-18)7-8-23(21)34-14-11-30-25(34)32-24/h4-9,15,17H,10-14H2,1-3H3,(H,30,31,32)/t17-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 467.54 g/mol, XLogP of 5.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 166476428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).