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

C23H21F3N4O2 — CID 166476512

IUPACN-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-7-(oxolan-3-yloxy)imidazo[1,2-a]quinazolin-5-amine
SMILESCc1c(CNc2nc3nccn3c3ccc(OC4CCOC4)cc23)cccc1C(F)(F)F
InChIInChI=1S/C23H21F3N4O2/c1-14-15(3-2-4-19(14)23(24,25)26)12-28-21-18-11-16(32-17-7-10-31-13-17)5-6-20(18)30-9-8-27-22(30)29-21/h2-6,8-9,11,17H,7,10,12-13H2,1H3,(H,27,28,29)
InChIKeySLWKDLKMEZGTME-UHFFFAOYSA-N
MW442.44 g/mol
LogP4.99
Rot. Bonds5

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

N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-7-(oxolan-3-yloxy)imidazo[1,2-a]quinazolin-5-amine (PubChem CID 166476512) has the molecular formula C23H21F3N4O2 and a molecular weight of 442.44 g/mol. Its IUPAC name is N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-7-(oxolan-3-yloxy)imidazo[1,2-a]quinazolin-5-amine.

Molecular Properties

Compound NameN-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-7-(oxolan-3-yloxy)imidazo[1,2-a]quinazolin-5-amine
PubChem CID166476512
Molecular FormulaC23H21F3N4O2
Molecular Weight442.44 g/mol
Exact Mass442.16
IUPAC NameN-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-7-(oxolan-3-yloxy)imidazo[1,2-a]quinazolin-5-amine
SMILESCc1c(CNc2nc3nccn3c3ccc(OC4CCOC4)cc23)cccc1C(F)(F)F
InChIInChI=1S/C23H21F3N4O2/c1-14-15(3-2-4-19(14)23(24,25)26)12-28-21-18-11-16(32-17-7-10-31-13-17)5-6-20(18)30-9-8-27-22(30)29-21/h2-6,8-9,11,17H,7,10,12-13H2,1H3,(H,27,28,29)
InChIKeySLWKDLKMEZGTME-UHFFFAOYSA-N
XLogP4.99
TPSA60.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.44
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-7-(oxolan-3-yloxy)imidazo[1,2-a]quinazolin-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-(2-methylidenebutoxy)-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]quinazolin-5-amine
CID 166476265
2-methyl-4-[[2-methyl-3-(trifluoromethyl)phenyl]methylamino]-6-(oxan-4-yl)pyrido[4,3-d]pyrimidin-7-one
CID 165398624
N-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-4-(oxan-4-ylmethyl)-1,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-7-amine
CID 166476665
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-bromo-4-methyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]phthalazin-1-amine;4-methyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-7-[(3S)-oxolan-3-yl]oxyphthalazin-1-amine;(3S)-oxolan-3-ol
CID 160568838
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
7-ethyl-6-(1-methylidenethian-4-yl)-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-amine
CID 164918832
N-[[3-(oxolan-3-yloxy)phenyl]methyl]ethanamine
CID 63556352
2-methyl-2-[3-(oxolan-3-yloxy)phenyl]propan-1-ol
CID 117345312
1-[7-chloro-2-methyl-4-[[2-methyl-3-(trifluoromethyl)phenyl]methylamino]pyrido[2,3-d]pyrimidin-6-yl]cyclopropane-1-carbonitrile
CID 164918356

Frequently Asked Questions

What is the IUPAC name of N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-7-(oxolan-3-yloxy)imidazo[1,2-a]quinazolin-5-amine?
The IUPAC name of N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-7-(oxolan-3-yloxy)imidazo[1,2-a]quinazolin-5-amine (CID 166476512) is N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-7-(oxolan-3-yloxy)imidazo[1,2-a]quinazolin-5-amine.
What is the SMILES notation for N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-7-(oxolan-3-yloxy)imidazo[1,2-a]quinazolin-5-amine?
The canonical SMILES for N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-7-(oxolan-3-yloxy)imidazo[1,2-a]quinazolin-5-amine is Cc1c(CNc2nc3nccn3c3ccc(OC4CCOC4)cc23)cccc1C(F)(F)F.
What is the InChIKey of N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-7-(oxolan-3-yloxy)imidazo[1,2-a]quinazolin-5-amine?
The InChIKey is SLWKDLKMEZGTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N4O2/c1-14-15(3-2-4-19(14)23(24,25)26)12-28-21-18-11-16(32-17-7-10-31-13-17)5-6-20(18)30-9-8-27-22(30)29-21/h2-6,8-9,11,17H,7,10,12-13H2,1H3,(H,27,28,29).
What are the key properties of N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-7-(oxolan-3-yloxy)imidazo[1,2-a]quinazolin-5-amine?
N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-7-(oxolan-3-yloxy)imidazo[1,2-a]quinazolin-5-amine has a molecular weight of 442.44 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-7-(oxolan-3-yloxy)imidazo[1,2-a]quinazolin-5-amine is sourced from PubChem (CID 166476512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).