3-[7-[2-(4-ethylpiperazin-1-yl)ethylamino]-6-methoxyquinazolin-4-yl]oxy-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide

C32H35F3N6O3 — CID 169304229

IUPAC3-[7-[2-(4-ethylpiperazin-1-yl)ethylamino]-6-methoxyquinazolin-4-yl]oxy-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCCN1CCN(CCNc2cc3ncnc(Oc4cc(C(=O)Nc5cccc(C(F)(F)F)c5)ccc4C)c3cc2OC)CC1
InChIInChI=1S/C32H35F3N6O3/c1-4-40-12-14-41(15-13-40)11-10-36-27-19-26-25(18-29(27)43-3)31(38-20-37-26)44-28-16-22(9-8-21(28)2)30(42)39-24-7-5-6-23(17-24)32(33,34)35/h5-9,16-20,36H,4,10-15H2,1-3H3,(H,39,42)
InChIKeyFNHIAGAIKAAEIK-UHFFFAOYSA-N
MW608.67 g/mol
LogP6.06
Rot. Bonds10

About 3-[7-[2-(4-ethylpiperazin-1-yl)ethylamino]-6-methoxyquinazolin-4-yl]oxy-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide

3-[7-[2-(4-ethylpiperazin-1-yl)ethylamino]-6-methoxyquinazolin-4-yl]oxy-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 169304229) has the molecular formula C32H35F3N6O3 and a molecular weight of 608.67 g/mol. Its IUPAC name is 3-[7-[2-(4-ethylpiperazin-1-yl)ethylamino]-6-methoxyquinazolin-4-yl]oxy-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-[7-[2-(4-ethylpiperazin-1-yl)ethylamino]-6-methoxyquinazolin-4-yl]oxy-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID169304229
Molecular FormulaC32H35F3N6O3
Molecular Weight608.67 g/mol
Exact Mass608.27
IUPAC Name3-[7-[2-(4-ethylpiperazin-1-yl)ethylamino]-6-methoxyquinazolin-4-yl]oxy-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCCN1CCN(CCNc2cc3ncnc(Oc4cc(C(=O)Nc5cccc(C(F)(F)F)c5)ccc4C)c3cc2OC)CC1
InChIInChI=1S/C32H35F3N6O3/c1-4-40-12-14-41(15-13-40)11-10-36-27-19-26-25(18-29(27)43-3)31(38-20-37-26)44-28-16-22(9-8-21(28)2)30(42)39-24-7-5-6-23(17-24)32(33,34)35/h5-9,16-20,36H,4,10-15H2,1-3H3,(H,39,42)
InChIKeyFNHIAGAIKAAEIK-UHFFFAOYSA-N
XLogP6.06
TPSA91.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.67
LogP ≤ 56.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-[7-[2-(4-ethylpiperazin-1-yl)ethylamino]-6-methoxyquinazolin-4-yl]oxy-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide 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

3-(6,7-dimethoxyquinazolin-4-yl)oxy-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methylbenzamide;dihydrochloride
CID 146018965
3-(6,7-dimethoxyquinazolin-4-yl)oxy-4-methyl-N-[4-(4-methylpiperazine-1-carbonyl)-3-(trifluoromethyl)phenyl]benzamide
CID 167817033
N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-(8H-pyrrolo[3,2-g]quinazolin-4-yloxy)benzamide
CID 169304271
4-methyl-3-[[6-[2-(4-methylpiperazin-1-yl)ethylamino]pyrimidin-4-yl]-(1H-1,2,4-triazol-5-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 90695181
3,4-dimethoxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 678380
6-(4-ethylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109345359
N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[3-(2-trimethylsilylethoxymethyl)imidazo[4,5-g]quinazolin-8-yl]oxybenzamide
CID 169304253
N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-(7H-purin-6-yloxy)benzamide
CID 71254198
N-[4-methyl-3-[[5-methyl-2-[6-[2-(4-oxidopiperazin-1-yl)ethylamino]pyrimidin-4-yl]pyrazol-3-yl]amino]phenyl]-3-(trifluoromethyl)benzamide
CID 88536138
3-(4-ethylpiperazin-1-yl)sulfonyl-4-fluoro-N-[3-(trifluoromethyl)phenyl]benzamide;hydrochloride
CID 126479404
2-[4-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]oxy-2,6-difluorophenyl]-2-oxo-N-[3-(trifluoromethyl)phenyl]acetamide
CID 155671397
6-(2-morpholin-4-ylethylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109154066

Frequently Asked Questions

What is the IUPAC name of 3-[7-[2-(4-ethylpiperazin-1-yl)ethylamino]-6-methoxyquinazolin-4-yl]oxy-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 3-[7-[2-(4-ethylpiperazin-1-yl)ethylamino]-6-methoxyquinazolin-4-yl]oxy-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide (CID 169304229) is 3-[7-[2-(4-ethylpiperazin-1-yl)ethylamino]-6-methoxyquinazolin-4-yl]oxy-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 3-[7-[2-(4-ethylpiperazin-1-yl)ethylamino]-6-methoxyquinazolin-4-yl]oxy-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 3-[7-[2-(4-ethylpiperazin-1-yl)ethylamino]-6-methoxyquinazolin-4-yl]oxy-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide is CCN1CCN(CCNc2cc3ncnc(Oc4cc(C(=O)Nc5cccc(C(F)(F)F)c5)ccc4C)c3cc2OC)CC1.
What is the InChIKey of 3-[7-[2-(4-ethylpiperazin-1-yl)ethylamino]-6-methoxyquinazolin-4-yl]oxy-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is FNHIAGAIKAAEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35F3N6O3/c1-4-40-12-14-41(15-13-40)11-10-36-27-19-26-25(18-29(27)43-3)31(38-20-37-26)44-28-16-22(9-8-21(28)2)30(42)39-24-7-5-6-23(17-24)32(33,34)35/h5-9,16-20,36H,4,10-15H2,1-3H3,(H,39,42).
What are the key properties of 3-[7-[2-(4-ethylpiperazin-1-yl)ethylamino]-6-methoxyquinazolin-4-yl]oxy-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide?
3-[7-[2-(4-ethylpiperazin-1-yl)ethylamino]-6-methoxyquinazolin-4-yl]oxy-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 608.67 g/mol, XLogP of 6.06, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-[2-(4-ethylpiperazin-1-yl)ethylamino]-6-methoxyquinazolin-4-yl]oxy-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 169304229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).