3-[2-amino-7-methoxy-8-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]quinazolin-6-yl]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide

C35H33F3N6O4 — CID 66900033

IUPAC3-[2-amino-7-methoxy-8-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]quinazolin-6-yl]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCOc1c(-c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)ccc2C)cc2cnc(N)nc2c1-c1ccc(OCCN2CCOCC2)nc1
InChIInChI=1S/C35H33F3N6O4/c1-21-6-7-22(33(45)42-26-5-3-4-25(18-26)35(36,37)38)16-27(21)28-17-24-20-41-34(39)43-31(24)30(32(28)46-2)23-8-9-29(40-19-23)48-15-12-44-10-13-47-14-11-44/h3-9,16-20H,10-15H2,1-2H3,(H,42,45)(H2,39,41,43)
InChIKeyIWJFGHWLYNTZGN-UHFFFAOYSA-N
MW658.68 g/mol
LogP6.24
Rot. Bonds9

About 3-[2-amino-7-methoxy-8-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]quinazolin-6-yl]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide

3-[2-amino-7-methoxy-8-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]quinazolin-6-yl]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 66900033) has the molecular formula C35H33F3N6O4 and a molecular weight of 658.68 g/mol. Its IUPAC name is 3-[2-amino-7-methoxy-8-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]quinazolin-6-yl]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-[2-amino-7-methoxy-8-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]quinazolin-6-yl]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID66900033
Molecular FormulaC35H33F3N6O4
Molecular Weight658.68 g/mol
Exact Mass658.25
IUPAC Name3-[2-amino-7-methoxy-8-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]quinazolin-6-yl]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCOc1c(-c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)ccc2C)cc2cnc(N)nc2c1-c1ccc(OCCN2CCOCC2)nc1
InChIInChI=1S/C35H33F3N6O4/c1-21-6-7-22(33(45)42-26-5-3-4-25(18-26)35(36,37)38)16-27(21)28-17-24-20-41-34(39)43-31(24)30(32(28)46-2)23-8-9-29(40-19-23)48-15-12-44-10-13-47-14-11-44/h3-9,16-20H,10-15H2,1-2H3,(H,42,45)(H2,39,41,43)
InChIKeyIWJFGHWLYNTZGN-UHFFFAOYSA-N
XLogP6.24
TPSA124.72 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500658.68
LogP ≤ 56.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 3-[2-amino-7-methoxy-8-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]quinazolin-6-yl]-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

Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-7-methoxy-8-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]quinazolin-6-yl]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 3-[2-amino-7-methoxy-8-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]quinazolin-6-yl]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide (CID 66900033) is 3-[2-amino-7-methoxy-8-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]quinazolin-6-yl]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 3-[2-amino-7-methoxy-8-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]quinazolin-6-yl]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 3-[2-amino-7-methoxy-8-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]quinazolin-6-yl]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide is COc1c(-c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)ccc2C)cc2cnc(N)nc2c1-c1ccc(OCCN2CCOCC2)nc1.
What is the InChIKey of 3-[2-amino-7-methoxy-8-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]quinazolin-6-yl]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is IWJFGHWLYNTZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H33F3N6O4/c1-21-6-7-22(33(45)42-26-5-3-4-25(18-26)35(36,37)38)16-27(21)28-17-24-20-41-34(39)43-31(24)30(32(28)46-2)23-8-9-29(40-19-23)48-15-12-44-10-13-47-14-11-44/h3-9,16-20H,10-15H2,1-2H3,(H,42,45)(H2,39,41,43).
What are the key properties of 3-[2-amino-7-methoxy-8-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]quinazolin-6-yl]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide?
3-[2-amino-7-methoxy-8-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]quinazolin-6-yl]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 658.68 g/mol, XLogP of 6.24, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-amino-7-methoxy-8-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]quinazolin-6-yl]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 66900033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).