7-methyl-8-[2-(methylamino)quinazolin-6-yl]-N-[3-(trifluoromethoxy)phenyl]quinazolin-4-amine

C25H19F3N6O — CID 24863318

IUPAC7-methyl-8-[2-(methylamino)quinazolin-6-yl]-N-[3-(trifluoromethoxy)phenyl]quinazolin-4-amine
SMILESCNc1ncc2cc(-c3c(C)ccc4c(Nc5cccc(OC(F)(F)F)c5)ncnc34)ccc2n1
InChIInChI=1S/C25H19F3N6O/c1-14-6-8-19-22(21(14)15-7-9-20-16(10-15)12-30-24(29-2)34-20)31-13-32-23(19)33-17-4-3-5-18(11-17)35-25(26,27)28/h3-13H,1-2H3,(H,29,30,34)(H,31,32,33)
InChIKeyLAYATSYQABWYAT-UHFFFAOYSA-N
MW476.46 g/mol
LogP6.23
Rot. Bonds5

About 7-methyl-8-[2-(methylamino)quinazolin-6-yl]-N-[3-(trifluoromethoxy)phenyl]quinazolin-4-amine

7-methyl-8-[2-(methylamino)quinazolin-6-yl]-N-[3-(trifluoromethoxy)phenyl]quinazolin-4-amine (PubChem CID 24863318) has the molecular formula C25H19F3N6O and a molecular weight of 476.46 g/mol. Its IUPAC name is 7-methyl-8-[2-(methylamino)quinazolin-6-yl]-N-[3-(trifluoromethoxy)phenyl]quinazolin-4-amine.

Molecular Properties

Compound Name7-methyl-8-[2-(methylamino)quinazolin-6-yl]-N-[3-(trifluoromethoxy)phenyl]quinazolin-4-amine
PubChem CID24863318
Molecular FormulaC25H19F3N6O
Molecular Weight476.46 g/mol
Exact Mass476.16
IUPAC Name7-methyl-8-[2-(methylamino)quinazolin-6-yl]-N-[3-(trifluoromethoxy)phenyl]quinazolin-4-amine
SMILESCNc1ncc2cc(-c3c(C)ccc4c(Nc5cccc(OC(F)(F)F)c5)ncnc34)ccc2n1
InChIInChI=1S/C25H19F3N6O/c1-14-6-8-19-22(21(14)15-7-9-20-16(10-15)12-30-24(29-2)34-20)31-13-32-23(19)33-17-4-3-5-18(11-17)35-25(26,27)28/h3-13H,1-2H3,(H,29,30,34)(H,31,32,33)
InChIKeyLAYATSYQABWYAT-UHFFFAOYSA-N
XLogP6.23
TPSA84.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.46
LogP ≤ 56.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 7-methyl-8-[2-(methylamino)quinazolin-6-yl]-N-[3-(trifluoromethoxy)phenyl]quinazolin-4-amine with MolForge

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Related Compounds

1-[4-[7-(Dimethylamino)quinazolin-4-yl]oxyphenyl]-3-[[6-(trifluoromethyl)pyridin-3-yl]methyl]urea
CID 155195529
6-[(3-Methoxy-5-trifluoromethylphenylamino)methyl]-2,4-diamino-5-methylpyrido[2,3-d]pyrimidine
CID 457342
1-(7-Methoxyquinolin-4-yl)-3-[6-(trifluoromethyl)pyridin-2-yl]urea
CID 49830684
4-N-(3-methoxyphenyl)pyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328061
2-Aminoquinazoline 9
CID 5330308
2-Aminoquinazoline 11
CID 5330310
2-Aminoquinazoline 12
CID 5330311
2-Aminoquinazoline 18
CID 5330316
2-Aminoquinazoline 21
CID 5330319
2-Aminoquinazoline 28
CID 5330326
5-({6-[4-(Trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)quinoline
CID 10338944
7-({6-[4-(Trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)quinoline
CID 10429018

Frequently Asked Questions

What is the IUPAC name of 7-methyl-8-[2-(methylamino)quinazolin-6-yl]-N-[3-(trifluoromethoxy)phenyl]quinazolin-4-amine?
The IUPAC name of 7-methyl-8-[2-(methylamino)quinazolin-6-yl]-N-[3-(trifluoromethoxy)phenyl]quinazolin-4-amine (CID 24863318) is 7-methyl-8-[2-(methylamino)quinazolin-6-yl]-N-[3-(trifluoromethoxy)phenyl]quinazolin-4-amine.
What is the SMILES notation for 7-methyl-8-[2-(methylamino)quinazolin-6-yl]-N-[3-(trifluoromethoxy)phenyl]quinazolin-4-amine?
The canonical SMILES for 7-methyl-8-[2-(methylamino)quinazolin-6-yl]-N-[3-(trifluoromethoxy)phenyl]quinazolin-4-amine is CNc1ncc2cc(-c3c(C)ccc4c(Nc5cccc(OC(F)(F)F)c5)ncnc34)ccc2n1.
What is the InChIKey of 7-methyl-8-[2-(methylamino)quinazolin-6-yl]-N-[3-(trifluoromethoxy)phenyl]quinazolin-4-amine?
The InChIKey is LAYATSYQABWYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F3N6O/c1-14-6-8-19-22(21(14)15-7-9-20-16(10-15)12-30-24(29-2)34-20)31-13-32-23(19)33-17-4-3-5-18(11-17)35-25(26,27)28/h3-13H,1-2H3,(H,29,30,34)(H,31,32,33).
What are the key properties of 7-methyl-8-[2-(methylamino)quinazolin-6-yl]-N-[3-(trifluoromethoxy)phenyl]quinazolin-4-amine?
7-methyl-8-[2-(methylamino)quinazolin-6-yl]-N-[3-(trifluoromethoxy)phenyl]quinazolin-4-amine has a molecular weight of 476.46 g/mol, XLogP of 6.23, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-8-[2-(methylamino)quinazolin-6-yl]-N-[3-(trifluoromethoxy)phenyl]quinazolin-4-amine is sourced from PubChem (CID 24863318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).