7-(2-methylidenebutoxy)-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]quinazolin-5-amine

C24H23F3N4O — CID 166476265

IUPAC7-(2-methylidenebutoxy)-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]quinazolin-5-amine
SMILESC=C(CC)COc1ccc2c(c1)c(NCc1cccc(C(F)(F)F)c1C)nc1nccn12
InChIInChI=1S/C24H23F3N4O/c1-4-15(2)14-32-18-8-9-21-19(12-18)22(30-23-28-10-11-31(21)23)29-13-17-6-5-7-20(16(17)3)24(25,26)27/h5-12H,2,4,13-14H2,1,3H3,(H,28,29,30)
InChIKeyIUBWWZJGBCONSE-UHFFFAOYSA-N
MW440.47 g/mol
LogP6.17
Rot. Bonds7

About 7-(2-methylidenebutoxy)-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]quinazolin-5-amine

7-(2-methylidenebutoxy)-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]quinazolin-5-amine (PubChem CID 166476265) has the molecular formula C24H23F3N4O and a molecular weight of 440.47 g/mol. Its IUPAC name is 7-(2-methylidenebutoxy)-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]quinazolin-5-amine.

Molecular Properties

Compound Name7-(2-methylidenebutoxy)-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]quinazolin-5-amine
PubChem CID166476265
Molecular FormulaC24H23F3N4O
Molecular Weight440.47 g/mol
Exact Mass440.18
IUPAC Name7-(2-methylidenebutoxy)-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]quinazolin-5-amine
SMILESC=C(CC)COc1ccc2c(c1)c(NCc1cccc(C(F)(F)F)c1C)nc1nccn12
InChIInChI=1S/C24H23F3N4O/c1-4-15(2)14-32-18-8-9-21-19(12-18)22(30-23-28-10-11-31(21)23)29-13-17-6-5-7-20(16(17)3)24(25,26)27/h5-12H,2,4,13-14H2,1,3H3,(H,28,29,30)
InChIKeyIUBWWZJGBCONSE-UHFFFAOYSA-N
XLogP6.17
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.47
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-7-(oxolan-3-yloxy)imidazo[1,2-a]quinazolin-5-amine
CID 166476512
7-bromo-N-[[3-(difluoromethyl)-2-fluorophenyl]methyl]imidazo[1,2-a]quinazolin-5-amine
CID 166476163
1-[4-[8-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]-2,5,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaen-11-yl]piperazin-1-yl]ethanone
CID 166476173
7-fluoro-2,6-dimethyl-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine
CID 167166217
7-methoxy-2,6-dimethyl-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine
CID 167166011
1-[7-[[2-methyl-3-(trifluoromethyl)phenyl]methylamino]-12-propan-2-yl-1,4,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-4-yl]ethanone
CID 166476503
(4E,5E)-5-ethylidene-6-methyl-4-(2-methylprop-2-enylidene)-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]pyridazin-3-amine
CID 166548541
N-methyl-1-[2-methyl-3-(trifluoromethyl)phenyl]methanamine
CID 155749063
7-ethyl-6-(1-methylidenethian-4-yl)-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-amine
CID 164918832
1-[7-chloro-2-methyl-4-[[2-methyl-3-(trifluoromethyl)phenyl]methylamino]pyrido[2,3-d]pyrimidin-6-yl]cyclopropane-1-carbonitrile
CID 164918356
N-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridin-5-amine
CID 102625586
N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-piperazin-1-ylquinolin-4-amine
CID 171658454

Frequently Asked Questions

What is the IUPAC name of 7-(2-methylidenebutoxy)-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]quinazolin-5-amine?
The IUPAC name of 7-(2-methylidenebutoxy)-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]quinazolin-5-amine (CID 166476265) is 7-(2-methylidenebutoxy)-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]quinazolin-5-amine.
What is the SMILES notation for 7-(2-methylidenebutoxy)-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]quinazolin-5-amine?
The canonical SMILES for 7-(2-methylidenebutoxy)-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]quinazolin-5-amine is C=C(CC)COc1ccc2c(c1)c(NCc1cccc(C(F)(F)F)c1C)nc1nccn12.
What is the InChIKey of 7-(2-methylidenebutoxy)-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]quinazolin-5-amine?
The InChIKey is IUBWWZJGBCONSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N4O/c1-4-15(2)14-32-18-8-9-21-19(12-18)22(30-23-28-10-11-31(21)23)29-13-17-6-5-7-20(16(17)3)24(25,26)27/h5-12H,2,4,13-14H2,1,3H3,(H,28,29,30).
What are the key properties of 7-(2-methylidenebutoxy)-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]quinazolin-5-amine?
7-(2-methylidenebutoxy)-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]quinazolin-5-amine has a molecular weight of 440.47 g/mol, XLogP of 6.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methylidenebutoxy)-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]quinazolin-5-amine is sourced from PubChem (CID 166476265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).