methyl 2-morpholin-4-yl-7-phenyl-4-[3-(trifluoromethyl)anilino]quinazoline-6-carboxylate

C27H23F3N4O3 — CID 102417267

IUPACmethyl 2-morpholin-4-yl-7-phenyl-4-[3-(trifluoromethyl)anilino]quinazoline-6-carboxylate
SMILESCOC(=O)c1cc2c(Nc3cccc(C(F)(F)F)c3)nc(N3CCOCC3)nc2cc1-c1ccccc1
InChIInChI=1S/C27H23F3N4O3/c1-36-25(35)21-15-22-23(16-20(21)17-6-3-2-4-7-17)32-26(34-10-12-37-13-11-34)33-24(22)31-19-9-5-8-18(14-19)27(28,29)30/h2-9,14-16H,10-13H2,1H3,(H,31,32,33)
InChIKeyBRXWHCPPOYJZJR-UHFFFAOYSA-N
MW508.50 g/mol
LogP5.68
Rot. Bonds5

About methyl 2-morpholin-4-yl-7-phenyl-4-[3-(trifluoromethyl)anilino]quinazoline-6-carboxylate

methyl 2-morpholin-4-yl-7-phenyl-4-[3-(trifluoromethyl)anilino]quinazoline-6-carboxylate (PubChem CID 102417267) has the molecular formula C27H23F3N4O3 and a molecular weight of 508.50 g/mol. Its IUPAC name is methyl 2-morpholin-4-yl-7-phenyl-4-[3-(trifluoromethyl)anilino]quinazoline-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-morpholin-4-yl-7-phenyl-4-[3-(trifluoromethyl)anilino]quinazoline-6-carboxylate
PubChem CID102417267
Molecular FormulaC27H23F3N4O3
Molecular Weight508.50 g/mol
Exact Mass508.17
IUPAC Namemethyl 2-morpholin-4-yl-7-phenyl-4-[3-(trifluoromethyl)anilino]quinazoline-6-carboxylate
SMILESCOC(=O)c1cc2c(Nc3cccc(C(F)(F)F)c3)nc(N3CCOCC3)nc2cc1-c1ccccc1
InChIInChI=1S/C27H23F3N4O3/c1-36-25(35)21-15-22-23(16-20(21)17-6-3-2-4-7-17)32-26(34-10-12-37-13-11-34)33-24(22)31-19-9-5-8-18(14-19)27(28,29)30/h2-9,14-16H,10-13H2,1H3,(H,31,32,33)
InChIKeyBRXWHCPPOYJZJR-UHFFFAOYSA-N
XLogP5.68
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.50
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-morpholin-4-yl-7-phenyl-4-[3-(trifluoromethyl)anilino]quinazoline-6-carboxylate 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

6,7-dimethoxy-2-morpholin-4-yl-N-phenylquinazolin-4-amine
CID 71738609
2-morpholin-4-yl-4-(2-phenylethynyl)-6-[3-(trifluoromethyl)anilino]pyrimidine-5-carbaldehyde
CID 102417261
ethyl 2-[[4-morpholin-4-yl-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]amino]acetate
CID 5244583
4-morpholin-4-yl-N-[3-(trifluoromethyl)phenyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine
CID 122677415
2-(4,4-difluoropiperidin-1-yl)-6,7-dimethoxy-N-phenylquinazolin-4-amine;2,2,2-trifluoroacetic acid
CID 164625166
2-methyl-6-morpholin-4-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 112869941
methyl 2-[3-(trifluoromethyl)phenyl]benzoate
CID 1393351
methyl 2-methoxy-3-morpholin-4-ylbenzoate
CID 162506076
methyl 2-methyl-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate
CID 69039624
methyl 3-[[2-(trifluoromethyl)quinazolin-4-yl]amino]benzoate
CID 71689070
N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 122326135
2-N-[(4-bromophenyl)methylideneamino]-6-morpholin-4-yl-4-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 75611620

Frequently Asked Questions

What is the IUPAC name of methyl 2-morpholin-4-yl-7-phenyl-4-[3-(trifluoromethyl)anilino]quinazoline-6-carboxylate?
The IUPAC name of methyl 2-morpholin-4-yl-7-phenyl-4-[3-(trifluoromethyl)anilino]quinazoline-6-carboxylate (CID 102417267) is methyl 2-morpholin-4-yl-7-phenyl-4-[3-(trifluoromethyl)anilino]quinazoline-6-carboxylate.
What is the SMILES notation for methyl 2-morpholin-4-yl-7-phenyl-4-[3-(trifluoromethyl)anilino]quinazoline-6-carboxylate?
The canonical SMILES for methyl 2-morpholin-4-yl-7-phenyl-4-[3-(trifluoromethyl)anilino]quinazoline-6-carboxylate is COC(=O)c1cc2c(Nc3cccc(C(F)(F)F)c3)nc(N3CCOCC3)nc2cc1-c1ccccc1.
What is the InChIKey of methyl 2-morpholin-4-yl-7-phenyl-4-[3-(trifluoromethyl)anilino]quinazoline-6-carboxylate?
The InChIKey is BRXWHCPPOYJZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23F3N4O3/c1-36-25(35)21-15-22-23(16-20(21)17-6-3-2-4-7-17)32-26(34-10-12-37-13-11-34)33-24(22)31-19-9-5-8-18(14-19)27(28,29)30/h2-9,14-16H,10-13H2,1H3,(H,31,32,33).
What are the key properties of methyl 2-morpholin-4-yl-7-phenyl-4-[3-(trifluoromethyl)anilino]quinazoline-6-carboxylate?
methyl 2-morpholin-4-yl-7-phenyl-4-[3-(trifluoromethyl)anilino]quinazoline-6-carboxylate has a molecular weight of 508.50 g/mol, XLogP of 5.68, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-morpholin-4-yl-7-phenyl-4-[3-(trifluoromethyl)anilino]quinazoline-6-carboxylate is sourced from PubChem (CID 102417267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).