3-[2-amino-7-methoxy-8-(2-methoxypyrimidin-5-yl)quinazolin-6-yl]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide

C29H23F3N6O3 — CID 66898109

IUPAC3-[2-amino-7-methoxy-8-(2-methoxypyrimidin-5-yl)quinazolin-6-yl]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCOc1ncc(-c2c(OC)c(-c3cc(C(=O)Nc4cccc(C(F)(F)F)c4)ccc3C)cc3cnc(N)nc23)cn1
InChIInChI=1S/C29H23F3N6O3/c1-15-7-8-16(26(39)37-20-6-4-5-19(11-20)29(30,31)32)9-21(15)22-10-17-12-34-27(33)38-24(17)23(25(22)40-2)18-13-35-28(41-3)36-14-18/h4-14H,1-3H3,(H,37,39)(H2,33,34,38)
InChIKeyUSHGLWSGMWFZNX-UHFFFAOYSA-N
MW560.54 g/mol
LogP5.93
Rot. Bonds6

About 3-[2-amino-7-methoxy-8-(2-methoxypyrimidin-5-yl)quinazolin-6-yl]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide

3-[2-amino-7-methoxy-8-(2-methoxypyrimidin-5-yl)quinazolin-6-yl]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 66898109) has the molecular formula C29H23F3N6O3 and a molecular weight of 560.54 g/mol. Its IUPAC name is 3-[2-amino-7-methoxy-8-(2-methoxypyrimidin-5-yl)quinazolin-6-yl]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-[2-amino-7-methoxy-8-(2-methoxypyrimidin-5-yl)quinazolin-6-yl]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID66898109
Molecular FormulaC29H23F3N6O3
Molecular Weight560.54 g/mol
Exact Mass560.18
IUPAC Name3-[2-amino-7-methoxy-8-(2-methoxypyrimidin-5-yl)quinazolin-6-yl]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCOc1ncc(-c2c(OC)c(-c3cc(C(=O)Nc4cccc(C(F)(F)F)c4)ccc3C)cc3cnc(N)nc23)cn1
InChIInChI=1S/C29H23F3N6O3/c1-15-7-8-16(26(39)37-20-6-4-5-19(11-20)29(30,31)32)9-21(15)22-10-17-12-34-27(33)38-24(17)23(25(22)40-2)18-13-35-28(41-3)36-14-18/h4-14H,1-3H3,(H,37,39)(H2,33,34,38)
InChIKeyUSHGLWSGMWFZNX-UHFFFAOYSA-N
XLogP5.93
TPSA125.14 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.54
LogP ≤ 55.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-[2-amino-7-methoxy-8-(2-methoxypyrimidin-5-yl)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

Related Compounds

Kinase inhibitor, 5
CID 71463554
4-methyl-3-(3-(pyrimidin-4-yl)pyridin-2-yloxy)-N-(3-(trifluoromethyl)phenyl)benzamide
CID 16108986
4-methyl-3-(3-(pyrimidin-4-yl)pyridin-2-yloxy)-N-(4-(trifluoromethyl)phenyl)benzamide
CID 16108987
[2-Azanyl-4-(trifluoromethyloxy)phenyl]-[4-(7-methoxyquinazolin-4-yl)piperidin-1-yl]methanone
CID 137333967
4-methyl-3-(2-(methylamino)quinazolin-6-yl)-N-(4-(1-methylpiperidin-4-yloxy)phenyl)benzamide
CID 16086101
4-methyl-3-(2-(methylamino)quinazolin-6-yl)-N-(2-(1-methylpiperidin-4-yloxy)-5-(trifluoromethyl)phenyl)benzamide
CID 16086104
N-(2,6-dimethylphenyl)-4-[[4-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide
CID 72724930
N-(2-methylphenyl)-4-[[5-methyl-4-[4-(trifluoromethoxy)phenyl]pyrimidin-2-yl]amino]benzamide
CID 72724932
N-[5-(ethylaminomethyl)-2-methylphenyl]-4-[[5-methyl-4-[4-(trifluoromethoxy)phenyl]pyrimidin-2-yl]amino]benzamide
CID 76314165
N-[2-methyl-5-[(2,2,6,6-tetramethylpiperidin-1-yl)methyl]phenyl]-4-[[5-methyl-4-[4-(trifluoromethoxy)phenyl]pyrimidin-2-yl]amino]benzamide
CID 76314166
N-[2-methyl-5-[(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl)methyl]phenyl]-4-[[5-methyl-4-[4-(trifluoromethoxy)phenyl]pyrimidin-2-yl]amino]benzamide
CID 76314167
N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-methylphenyl]-4-[[5-methyl-4-[4-(trifluoromethoxy)phenyl]pyrimidin-2-yl]amino]benzamide
CID 76314188

Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-7-methoxy-8-(2-methoxypyrimidin-5-yl)quinazolin-6-yl]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 3-[2-amino-7-methoxy-8-(2-methoxypyrimidin-5-yl)quinazolin-6-yl]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide (CID 66898109) is 3-[2-amino-7-methoxy-8-(2-methoxypyrimidin-5-yl)quinazolin-6-yl]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 3-[2-amino-7-methoxy-8-(2-methoxypyrimidin-5-yl)quinazolin-6-yl]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 3-[2-amino-7-methoxy-8-(2-methoxypyrimidin-5-yl)quinazolin-6-yl]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide is COc1ncc(-c2c(OC)c(-c3cc(C(=O)Nc4cccc(C(F)(F)F)c4)ccc3C)cc3cnc(N)nc23)cn1.
What is the InChIKey of 3-[2-amino-7-methoxy-8-(2-methoxypyrimidin-5-yl)quinazolin-6-yl]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is USHGLWSGMWFZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23F3N6O3/c1-15-7-8-16(26(39)37-20-6-4-5-19(11-20)29(30,31)32)9-21(15)22-10-17-12-34-27(33)38-24(17)23(25(22)40-2)18-13-35-28(41-3)36-14-18/h4-14H,1-3H3,(H,37,39)(H2,33,34,38).
What are the key properties of 3-[2-amino-7-methoxy-8-(2-methoxypyrimidin-5-yl)quinazolin-6-yl]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide?
3-[2-amino-7-methoxy-8-(2-methoxypyrimidin-5-yl)quinazolin-6-yl]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 560.54 g/mol, XLogP of 5.93, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-amino-7-methoxy-8-(2-methoxypyrimidin-5-yl)quinazolin-6-yl]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 66898109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).