7,8-dimethoxy-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-2,3-dihydro-1H-imidazo[1,2-a]quinazolin-5-imine

C22H23F3N4O2 — CID 166476314

IUPAC7,8-dimethoxy-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-2,3-dihydro-1H-imidazo[1,2-a]quinazolin-5-imine
SMILESCOc1cc2/c(=N/[C@H](C)c3cccc(C(F)(F)F)c3C)nc3n(c2cc1OC)CCN3
InChIInChI=1S/C22H23F3N4O2/c1-12-14(6-5-7-16(12)22(23,24)25)13(2)27-20-15-10-18(30-3)19(31-4)11-17(15)29-9-8-26-21(29)28-20/h5-7,10-11,13H,8-9H2,1-4H3,(H,26,27,28)/t13-/m1/s1
InChIKeyRHHGOEYTLXQALZ-CYBMUJFWSA-N
MW432.45 g/mol
LogP4.47
Rot. Bonds4

About 7,8-dimethoxy-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-2,3-dihydro-1H-imidazo[1,2-a]quinazolin-5-imine

7,8-dimethoxy-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-2,3-dihydro-1H-imidazo[1,2-a]quinazolin-5-imine (PubChem CID 166476314) has the molecular formula C22H23F3N4O2 and a molecular weight of 432.45 g/mol. Its IUPAC name is 7,8-dimethoxy-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-2,3-dihydro-1H-imidazo[1,2-a]quinazolin-5-imine.

Molecular Properties

Compound Name7,8-dimethoxy-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-2,3-dihydro-1H-imidazo[1,2-a]quinazolin-5-imine
PubChem CID166476314
Molecular FormulaC22H23F3N4O2
Molecular Weight432.45 g/mol
Exact Mass432.18
IUPAC Name7,8-dimethoxy-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-2,3-dihydro-1H-imidazo[1,2-a]quinazolin-5-imine
SMILESCOc1cc2/c(=N/[C@H](C)c3cccc(C(F)(F)F)c3C)nc3n(c2cc1OC)CCN3
InChIInChI=1S/C22H23F3N4O2/c1-12-14(6-5-7-16(12)22(23,24)25)13(2)27-20-15-10-18(30-3)19(31-4)11-17(15)29-9-8-26-21(29)28-20/h5-7,10-11,13H,8-9H2,1-4H3,(H,26,27,28)/t13-/m1/s1
InChIKeyRHHGOEYTLXQALZ-CYBMUJFWSA-N
XLogP4.47
TPSA60.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.45
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7,8-dimethoxy-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-2,3-dihydro-1H-imidazo[1,2-a]quinazolin-5-imine?
The IUPAC name of 7,8-dimethoxy-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-2,3-dihydro-1H-imidazo[1,2-a]quinazolin-5-imine (CID 166476314) is 7,8-dimethoxy-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 7,8-dimethoxy-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-2,3-dihydro-1H-imidazo[1,2-a]quinazolin-5-imine?
The canonical SMILES for 7,8-dimethoxy-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-2,3-dihydro-1H-imidazo[1,2-a]quinazolin-5-imine is COc1cc2/c(=N/[C@H](C)c3cccc(C(F)(F)F)c3C)nc3n(c2cc1OC)CCN3.
What is the InChIKey of 7,8-dimethoxy-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-2,3-dihydro-1H-imidazo[1,2-a]quinazolin-5-imine?
The InChIKey is RHHGOEYTLXQALZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C22H23F3N4O2/c1-12-14(6-5-7-16(12)22(23,24)25)13(2)27-20-15-10-18(30-3)19(31-4)11-17(15)29-9-8-26-21(29)28-20/h5-7,10-11,13H,8-9H2,1-4H3,(H,26,27,28)/t13-/m1/s1.
What are the key properties of 7,8-dimethoxy-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-2,3-dihydro-1H-imidazo[1,2-a]quinazolin-5-imine?
7,8-dimethoxy-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 432.45 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethoxy-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 166476314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).